3-(quinolin-8-ylsulfonylamino)-1H-indole-2-carboxylic acid

C18H13N3O4S — CID 91569703

IUPAC3-(quinolin-8-ylsulfonylamino)-1H-indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2ccccc2c1NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C18H13N3O4S/c22-18(23)17-16(12-7-1-2-8-13(12)20-17)21-26(24,25)14-9-3-5-11-6-4-10-19-15(11)14/h1-10,20-21H,(H,22,23)
InChIKeyZDPMGTNLFOVTTA-UHFFFAOYSA-N
MW367.39 g/mol
LogP3.22
Rot. Bonds4

About 3-(quinolin-8-ylsulfonylamino)-1H-indole-2-carboxylic acid

3-(quinolin-8-ylsulfonylamino)-1H-indole-2-carboxylic acid (PubChem CID 91569703) has the molecular formula C18H13N3O4S and a molecular weight of 367.39 g/mol. Its IUPAC name is 3-(quinolin-8-ylsulfonylamino)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name3-(quinolin-8-ylsulfonylamino)-1H-indole-2-carboxylic acid
PubChem CID91569703
Molecular FormulaC18H13N3O4S
Molecular Weight367.39 g/mol
Exact Mass367.06
IUPAC Name3-(quinolin-8-ylsulfonylamino)-1H-indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2ccccc2c1NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C18H13N3O4S/c22-18(23)17-16(12-7-1-2-8-13(12)20-17)21-26(24,25)14-9-3-5-11-6-4-10-19-15(11)14/h1-10,20-21H,(H,22,23)
InChIKeyZDPMGTNLFOVTTA-UHFFFAOYSA-N
XLogP3.22
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(quinolin-8-ylsulfonylamino)-1H-indole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 2443922
N-(2,6-dichlorophenyl)quinoline-8-sulfonamide
CID 5068800
N-[2,6-di(propan-2-yl)phenyl]quinoline-8-sulfonamide
CID 19683991
2-[5-[2-(quinolin-8-ylsulfonylamino)phenyl]pentyl]benzoic acid
CID 11525761
3-[(2-methoxycarbonylphenyl)sulfonylamino]-1H-indole-2-carboxylate
CID 7006411
N-(4-tert-butyl-1,3-thiazol-2-yl)quinoline-8-sulfonamide
CID 35538530
5-fluoro-2-(quinolin-8-ylsulfonylamino)benzoic acid
CID 22398672
2-methoxy-4-(quinolin-8-ylsulfonylamino)benzoic acid
CID 118468092
N-(2-ethyl-6-methylphenyl)quinoline-8-sulfonamide
CID 5218600
ethyl 2-[2-(quinolin-8-ylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 10199594
methyl (2R)-2-phenyl-2-(quinolin-8-ylsulfonylamino)acetate
CID 74225728
N-propan-2-yl-4-(quinolin-8-ylsulfonylamino)-1H-pyrazole-5-carboxamide
CID 69380952

Frequently Asked Questions

What is the IUPAC name of 3-(quinolin-8-ylsulfonylamino)-1H-indole-2-carboxylic acid?
The IUPAC name of 3-(quinolin-8-ylsulfonylamino)-1H-indole-2-carboxylic acid (CID 91569703) is 3-(quinolin-8-ylsulfonylamino)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 3-(quinolin-8-ylsulfonylamino)-1H-indole-2-carboxylic acid?
The canonical SMILES for 3-(quinolin-8-ylsulfonylamino)-1H-indole-2-carboxylic acid is O=C(O)c1[nH]c2ccccc2c1NS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of 3-(quinolin-8-ylsulfonylamino)-1H-indole-2-carboxylic acid?
The InChIKey is ZDPMGTNLFOVTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O4S/c22-18(23)17-16(12-7-1-2-8-13(12)20-17)21-26(24,25)14-9-3-5-11-6-4-10-19-15(11)14/h1-10,20-21H,(H,22,23).
What are the key properties of 3-(quinolin-8-ylsulfonylamino)-1H-indole-2-carboxylic acid?
3-(quinolin-8-ylsulfonylamino)-1H-indole-2-carboxylic acid has a molecular weight of 367.39 g/mol, XLogP of 3.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinolin-8-ylsulfonylamino)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 91569703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).