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CAS 1195768-20-7 manufacturers and suppliers on PharmaCompass

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CAS 1195768-20-7
Also known as: 1195768-20-7, N-[3-[2-(2-chloropyrimidin-4-yl)acetyl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide, N-{3-[(2-chloro-4-pyrimidinyl)acetyl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide, N-(3-((2-chloro-4-pyrimidinyl)acetyl)-2-fluorophenyl)-2,6-difluorobenzenesulfonamide, Schembl1127143, Dtxsid101126935
Molecular Formula
C18H11ClF3N3O3S
Molecular Weight
441.8  g/mol
InChI Key
JENXIOQPSJSXEN-UHFFFAOYSA-N

1 2D Structure

CAS 1195768-20-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-[3-[2-(2-chloropyrimidin-4-yl)acetyl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
2.1.2 InChI
InChI=1S/C18H11ClF3N3O3S/c19-18-23-8-7-10(24-18)9-15(26)11-3-1-6-14(16(11)22)25-29(27,28)17-12(20)4-2-5-13(17)21/h1-8,25H,9H2
2.1.3 InChI Key
JENXIOQPSJSXEN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=C(C(=C1)NS(=O)(=O)C2=C(C=CC=C2F)F)F)C(=O)CC3=NC(=NC=C3)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1195768-20-7

2. N-[3-[2-(2-chloropyrimidin-4-yl)acetyl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide

3. N-{3-[(2-chloro-4-pyrimidinyl)acetyl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide

4. N-(3-((2-chloro-4-pyrimidinyl)acetyl)-2-fluorophenyl)-2,6-difluorobenzenesulfonamide

5. Schembl1127143

6. Dtxsid101126935

7. Amy30055

8. Mfcd18447699

9. Zinc95912912

10. Sb60455

11. F12002

12. A907526

13. N-[3-[2-(2-chloro-4-pyrimidinyl)acetyl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide

2.3 Create Date
2012-08-19
3 Chemical and Physical Properties
Molecular Weight 441.8 g/mol
Molecular Formula C18H11ClF3N3O3S
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass441.0161746 g/mol
Monoisotopic Mass441.0161746 g/mol
Topological Polar Surface Area97.4 Ų
Heavy Atom Count29
Formal Charge0
Complexity671
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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