6-sulfamoyl-1H-indole-2-carboxylic acid

C9H8N2O4S — CID 66925507

IUPAC6-sulfamoyl-1H-indole-2-carboxylic acid
SMILESNS(=O)(=O)c1ccc2cc(C(=O)O)[nH]c2c1
InChIInChI=1S/C9H8N2O4S/c10-16(14,15)6-2-1-5-3-8(9(12)13)11-7(5)4-6/h1-4,11H,(H,12,13)(H2,10,14,15)
InChIKeyMKKJFDLVVVHHCK-UHFFFAOYSA-N
MW240.24 g/mol
LogP0.51
Rot. Bonds2

About 6-sulfamoyl-1H-indole-2-carboxylic acid

6-sulfamoyl-1H-indole-2-carboxylic acid (PubChem CID 66925507) has the molecular formula C9H8N2O4S and a molecular weight of 240.24 g/mol. Its IUPAC name is 6-sulfamoyl-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name6-sulfamoyl-1H-indole-2-carboxylic acid
PubChem CID66925507
Molecular FormulaC9H8N2O4S
Molecular Weight240.24 g/mol
Exact Mass240.02
IUPAC Name6-sulfamoyl-1H-indole-2-carboxylic acid
SMILESNS(=O)(=O)c1ccc2cc(C(=O)O)[nH]c2c1
InChIInChI=1S/C9H8N2O4S/c10-16(14,15)6-2-1-5-3-8(9(12)13)11-7(5)4-6/h1-4,11H,(H,12,13)(H2,10,14,15)
InChIKeyMKKJFDLVVVHHCK-UHFFFAOYSA-N
XLogP0.51
TPSA113.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-tert-butyl-1H-indole-2-carboxylic acid
CID 5172468
6-(4-hydroxyphenyl)-1H-indole-2-carboxylic acid
CID 39232374
6-cyclopropyl-1H-indole-2-carboxylic acid
CID 79983056
6-(dimethylamino)-1H-indole-2-carboxylic acid;hydrochloride
CID 17389553
N-(2-methoxy-5-sulfamoylphenyl)-6-methyl-1H-indole-2-carboxamide
CID 52567796
ethane;1H-indole-2-carboxylic acid
CID 91052830
2-carbamoyl-1H-indole-6-carboxylic acid
CID 70896199
N-[(4-sulfamoylphenyl)methyl]-1H-indole-2-carboxamide
CID 23025509
5-fluoro-6-hydroxy-1H-indole-2-carboxylic acid
CID 141128884
2-hydroxy-1H-indole-5-sulfonamide
CID 57179622
2-(2-oxo-1H-quinolin-3-yl)-1H-indole-6-sulfonamide
CID 142239743
2,4-disulfamoylbenzoic acid
CID 70122290

Frequently Asked Questions

What is the IUPAC name of 6-sulfamoyl-1H-indole-2-carboxylic acid?
The IUPAC name of 6-sulfamoyl-1H-indole-2-carboxylic acid (CID 66925507) is 6-sulfamoyl-1H-indole-2-carboxylic acid.
What is the SMILES notation for 6-sulfamoyl-1H-indole-2-carboxylic acid?
The canonical SMILES for 6-sulfamoyl-1H-indole-2-carboxylic acid is NS(=O)(=O)c1ccc2cc(C(=O)O)[nH]c2c1.
What is the InChIKey of 6-sulfamoyl-1H-indole-2-carboxylic acid?
The InChIKey is MKKJFDLVVVHHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4S/c10-16(14,15)6-2-1-5-3-8(9(12)13)11-7(5)4-6/h1-4,11H,(H,12,13)(H2,10,14,15).
What are the key properties of 6-sulfamoyl-1H-indole-2-carboxylic acid?
6-sulfamoyl-1H-indole-2-carboxylic acid has a molecular weight of 240.24 g/mol, XLogP of 0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-sulfamoyl-1H-indole-2-carboxylic acid is sourced from PubChem (CID 66925507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).