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Also known as: 150975-95-4, 5-methylsulfonaminoindole-2-carboxylic acid, 1h-indole-2-carboxylic acid, 5-[(methylsulfonyl)amino]-, 5-(methanesulfonamido)-1h-indole-2-carboxylic acid, 5-(methylsulfonamido)-1h-indole-2-carboxylic acid, T8ec5ng7z5
Molecular Formula
C10H10N2O4S
Molecular Weight
254.26  g/mol
InChI Key
AHXMYKDPQPQFMW-UHFFFAOYSA-N
FDA UNII
T8EC5NG7Z5

CAS	150975-95-4
1 2D Structure

CAS	150975-95-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-(methanesulfonamido)-1H-indole-2-carboxylic acid
2.1.2 InChI
InChI=1S/C10H10N2O4S/c1-17(15,16)12-7-2-3-8-6(4-7)5-9(11-8)10(13)14/h2-5,11-12H,1H3,(H,13,14)
2.1.3 InChI Key
AHXMYKDPQPQFMW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CS(=O)(=O)NC1=CC2=C(C=C1)NC(=C2)C(=O)O
2.2 Other Identifiers
2.2.1 UNII
T8EC5NG7Z5
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 150975-95-4

2. 5-methylsulfonaminoindole-2-carboxylic Acid

3. 1h-indole-2-carboxylic Acid, 5-[(methylsulfonyl)amino]-

4. 5-(methanesulfonamido)-1h-indole-2-carboxylic Acid

5. 5-(methylsulfonamido)-1h-indole-2-carboxylic Acid

6. T8ec5ng7z5

7. 1h-indole-2-carboxylicacid, 5-[(methylsulfonyl)amino]-

8. Unii-t8ec5ng7z5

9. 5-methylsulfonaminoindole-2-carboxylicacid

10. 5-[(methylsulfonyl)amino]-1h-indole-2-carboxylic Acid

11. Schembl8406457

12. Dtxsid70164668

13. Zinc1420700

14. Mfcd00236371

15. Akos015965530

16. Ac-20389

17. Db-049835

18. Ft-0733045

19. 5-(methylsulfonamido)-1h-indole-2-carboxylicacid

20. 5-(methylsulfonylamino)-1h-indole-2-carboxylic Acid

21. Q27289811

2.4 Create Date
2005-07-11
3 Chemical and Physical Properties
Molecular Weight 254.26 g/mol
Molecular Formula C10H10N2O4S
XLogP31.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass254.03612798 g/mol
Monoisotopic Mass254.03612798 g/mol
Topological Polar Surface Area108 Ų
Heavy Atom Count17
Formal Charge0
Complexity403
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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