3-[(4-fluoro-3-methylphenyl)sulfonylamino]-1H-indole-2-carboxylic acid

C16H13FN2O4S — CID 666090

IUPAC3-[(4-fluoro-3-methylphenyl)sulfonylamino]-1H-indole-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)Nc2c(C(=O)O)[nH]c3ccccc23)ccc1F
InChIInChI=1S/C16H13FN2O4S/c1-9-8-10(6-7-12(9)17)24(22,23)19-14-11-4-2-3-5-13(11)18-15(14)16(20)21/h2-8,18-19H,1H3,(H,20,21)
InChIKeyFXLCPIXYGZTZFN-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.11
Rot. Bonds4

About 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-1H-indole-2-carboxylic acid

3-[(4-fluoro-3-methylphenyl)sulfonylamino]-1H-indole-2-carboxylic acid (PubChem CID 666090) has the molecular formula C16H13FN2O4S and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluoro-3-methylphenyl)sulfonylamino]-1H-indole-2-carboxylic acid
PubChem CID666090
Molecular FormulaC16H13FN2O4S
Molecular Weight348.36 g/mol
Exact Mass348.06
IUPAC Name3-[(4-fluoro-3-methylphenyl)sulfonylamino]-1H-indole-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)Nc2c(C(=O)O)[nH]c3ccccc23)ccc1F
InChIInChI=1S/C16H13FN2O4S/c1-9-8-10(6-7-12(9)17)24(22,23)19-14-11-4-2-3-5-13(11)18-15(14)16(20)21/h2-8,18-19H,1H3,(H,20,21)
InChIKeyFXLCPIXYGZTZFN-UHFFFAOYSA-N
XLogP3.11
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-1H-indole-2-carboxylate
CID 666984
3-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylamino]-1H-indole-2-carboxylic acid
CID 91454028
N-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 56737871
3-(quinolin-8-ylsulfonylamino)-1H-indole-2-carboxylic acid
CID 91569703
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 42053342
N-(2-benzoyl-4-chlorophenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 100695353
[2-(1H-indol-3-yl)-2-oxoethyl] 2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate
CID 16530198
5-[(4-tert-butylphenyl)sulfonylamino]-3-(2,6-difluorophenyl)-1H-indole-2-carboxylic acid
CID 69245998
4-[(4-fluoro-3-methylphenyl)sulfamoyl]benzoic acid
CID 62811238
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-fluoro-3-methylbenzenesulfonamide
CID 2133624
5-[(4-tert-butylphenyl)sulfonylamino]-3-(2-fluorophenyl)-1H-indole-2-carboxylic acid
CID 69246004
ethyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate
CID 100694632

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-1H-indole-2-carboxylic acid?
The IUPAC name of 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-1H-indole-2-carboxylic acid (CID 666090) is 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-1H-indole-2-carboxylic acid.
What is the SMILES notation for 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-1H-indole-2-carboxylic acid?
The canonical SMILES for 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-1H-indole-2-carboxylic acid is Cc1cc(S(=O)(=O)Nc2c(C(=O)O)[nH]c3ccccc23)ccc1F.
What is the InChIKey of 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-1H-indole-2-carboxylic acid?
The InChIKey is FXLCPIXYGZTZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O4S/c1-9-8-10(6-7-12(9)17)24(22,23)19-14-11-4-2-3-5-13(11)18-15(14)16(20)21/h2-8,18-19H,1H3,(H,20,21).
What are the key properties of 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-1H-indole-2-carboxylic acid?
3-[(4-fluoro-3-methylphenyl)sulfonylamino]-1H-indole-2-carboxylic acid has a molecular weight of 348.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 666090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).