1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N,N-bis(2-chloroethyl)-4-methoxybenzenesulfonamide

2.1.2 InChI

InChI=1S/C11H15Cl2NO3S/c1-17-10-2-4-11(5-3-10)18(15,16)14(8-6-12)9-7-13/h2-5H,6-9H2,1H3

2.1.3 InChI Key

HUVWULNCGBXDRQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CCCl)CCCl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 86357-59-7

2. Nsc57821

3. C11h15cl2no3s

4. Schembl3615482

5. Dtxsid001006762

6. Zinc332631

7. Nsc-57821

8. Stk832912

9. Akos000506718

10. Cs-0362415

11. Ag-690/07721001

12. Sr-01000312283

13. Sr-01000312283-1

14. N,n-bis(2-chloroethyl)-4-methoxybenzene-1-sulfonamide

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₅Cl₂NO₃S
Molecular Weight	312.2 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	311.0149699 g/mol
Monoisotopic Mass	311.0149699 g/mol
Topological Polar Surface Area	55 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	318
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 86357-59-7