6-[(2-chloro-4-methoxyphenyl)sulfonylamino]-1H-indole-7-carboxylic acid

C16H13ClN2O5S — CID 68866331

IUPAC6-[(2-chloro-4-methoxyphenyl)sulfonylamino]-1H-indole-7-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3cc[nH]c3c2C(=O)O)c(Cl)c1
InChIInChI=1S/C16H13ClN2O5S/c1-24-10-3-5-13(11(17)8-10)25(22,23)19-12-4-2-9-6-7-18-15(9)14(12)16(20)21/h2-8,18-19H,1H3,(H,20,21)
InChIKeyXWPCWCTXWOVAPE-UHFFFAOYSA-N
MW380.81 g/mol
LogP3.33
Rot. Bonds5

About 6-[(2-chloro-4-methoxyphenyl)sulfonylamino]-1H-indole-7-carboxylic acid

6-[(2-chloro-4-methoxyphenyl)sulfonylamino]-1H-indole-7-carboxylic acid (PubChem CID 68866331) has the molecular formula C16H13ClN2O5S and a molecular weight of 380.81 g/mol. Its IUPAC name is 6-[(2-chloro-4-methoxyphenyl)sulfonylamino]-1H-indole-7-carboxylic acid.

Molecular Properties

Compound Name6-[(2-chloro-4-methoxyphenyl)sulfonylamino]-1H-indole-7-carboxylic acid
PubChem CID68866331
Molecular FormulaC16H13ClN2O5S
Molecular Weight380.81 g/mol
Exact Mass380.02
IUPAC Name6-[(2-chloro-4-methoxyphenyl)sulfonylamino]-1H-indole-7-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3cc[nH]c3c2C(=O)O)c(Cl)c1
InChIInChI=1S/C16H13ClN2O5S/c1-24-10-3-5-13(11(17)8-10)25(22,23)19-12-4-2-9-6-7-18-15(9)14(12)16(20)21/h2-8,18-19H,1H3,(H,20,21)
InChIKeyXWPCWCTXWOVAPE-UHFFFAOYSA-N
XLogP3.33
TPSA108.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.81
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(naphthalen-1-ylsulfonylamino)-1H-indole-7-carboxylic acid
CID 68865000
4-[(2-chloro-4-methoxyphenyl)sulfamoyl]benzoic acid
CID 56821059
4-bromo-2-chloro-N-(2,4-dimethoxyphenyl)benzenesulfonamide
CID 7514398
2,4-dichloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid
CID 992252
4-[(2,5-dimethoxyphenyl)sulfonylamino]-3-hydroxybenzoic acid
CID 7720378
4-chloro-N-(4-methoxy-2-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 22202576
2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 32672944
4-chloro-N-(2,4-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 3783398
N-(2-chloro-4-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 60597504
3-[(2,4-dimethoxyphenyl)sulfonylamino]-4-methylbenzoic acid
CID 45330107
N-(2-chloro-4-methoxyphenyl)-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 86858451
4-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82877469

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-4-methoxyphenyl)sulfonylamino]-1H-indole-7-carboxylic acid?
The IUPAC name of 6-[(2-chloro-4-methoxyphenyl)sulfonylamino]-1H-indole-7-carboxylic acid (CID 68866331) is 6-[(2-chloro-4-methoxyphenyl)sulfonylamino]-1H-indole-7-carboxylic acid.
What is the SMILES notation for 6-[(2-chloro-4-methoxyphenyl)sulfonylamino]-1H-indole-7-carboxylic acid?
The canonical SMILES for 6-[(2-chloro-4-methoxyphenyl)sulfonylamino]-1H-indole-7-carboxylic acid is COc1ccc(S(=O)(=O)Nc2ccc3cc[nH]c3c2C(=O)O)c(Cl)c1.
What is the InChIKey of 6-[(2-chloro-4-methoxyphenyl)sulfonylamino]-1H-indole-7-carboxylic acid?
The InChIKey is XWPCWCTXWOVAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O5S/c1-24-10-3-5-13(11(17)8-10)25(22,23)19-12-4-2-9-6-7-18-15(9)14(12)16(20)21/h2-8,18-19H,1H3,(H,20,21).
What are the key properties of 6-[(2-chloro-4-methoxyphenyl)sulfonylamino]-1H-indole-7-carboxylic acid?
6-[(2-chloro-4-methoxyphenyl)sulfonylamino]-1H-indole-7-carboxylic acid has a molecular weight of 380.81 g/mol, XLogP of 3.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-4-methoxyphenyl)sulfonylamino]-1H-indole-7-carboxylic acid is sourced from PubChem (CID 68866331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).