6-[(3-chloro-2-methylphenyl)sulfamoyl]-N-cyclopentyl-4-oxo-1H-quinoline-3-carboxamide

C22H22ClN3O4S — CID 15990667

IUPAC6-[(3-chloro-2-methylphenyl)sulfamoyl]-N-cyclopentyl-4-oxo-1H-quinoline-3-carboxamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1ccc2[nH]cc(C(=O)NC3CCCC3)c(=O)c2c1
InChIInChI=1S/C22H22ClN3O4S/c1-13-18(23)7-4-8-19(13)26-31(29,30)15-9-10-20-16(11-15)21(27)17(12-24-20)22(28)25-14-5-2-3-6-14/h4,7-12,14,26H,2-3,5-6H2,1H3,(H,24,27)(H,25,28)
InChIKeyOFWVAHGTBWWKHU-UHFFFAOYSA-N
MW459.96 g/mol
LogP3.96
Rot. Bonds5

About 6-[(3-chloro-2-methylphenyl)sulfamoyl]-N-cyclopentyl-4-oxo-1H-quinoline-3-carboxamide

6-[(3-chloro-2-methylphenyl)sulfamoyl]-N-cyclopentyl-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 15990667) has the molecular formula C22H22ClN3O4S and a molecular weight of 459.96 g/mol. Its IUPAC name is 6-[(3-chloro-2-methylphenyl)sulfamoyl]-N-cyclopentyl-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-[(3-chloro-2-methylphenyl)sulfamoyl]-N-cyclopentyl-4-oxo-1H-quinoline-3-carboxamide
PubChem CID15990667
Molecular FormulaC22H22ClN3O4S
Molecular Weight459.96 g/mol
Exact Mass459.10
IUPAC Name6-[(3-chloro-2-methylphenyl)sulfamoyl]-N-cyclopentyl-4-oxo-1H-quinoline-3-carboxamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1ccc2[nH]cc(C(=O)NC3CCCC3)c(=O)c2c1
InChIInChI=1S/C22H22ClN3O4S/c1-13-18(23)7-4-8-19(13)26-31(29,30)15-9-10-20-16(11-15)21(27)17(12-24-20)22(28)25-14-5-2-3-6-14/h4,7-12,14,26H,2-3,5-6H2,1H3,(H,24,27)(H,25,28)
InChIKeyOFWVAHGTBWWKHU-UHFFFAOYSA-N
XLogP3.96
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.96
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
CID 15994896
4-[(3-chloro-2-methylphenyl)sulfamoyl]-N-cyclopropylbenzamide
CID 109058337
N-cyclopentyl-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062446
6-(cyclohexylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate
CID 5061749
3-(cyclohexylcarbamoyl)-4-oxo-1H-quinoline-6-carboxylic acid
CID 10018505
N-[(1R,2R)-2-methylcyclohexyl]-4-oxo-6-[[3-(trifluoromethyl)phenyl]sulfamoyl]-1H-quinoline-3-carboxamide
CID 92696602
N-(2-methylcyclohexyl)-4-oxo-6-[[3-(trifluoromethyl)phenyl]sulfamoyl]-1H-quinoline-3-carboxamide
CID 20968565
N-[(1R,2S)-2-methylcyclohexyl]-4-oxo-6-[[3-(trifluoromethyl)phenyl]sulfamoyl]-1H-quinoline-3-carboxamide
CID 92696603
6-[[2-[(2-methylbenzoyl)amino]phenyl]sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid
CID 126479306
N-cycloheptyl-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 25342365
3-[(2-chlorophenyl)sulfamoyl]-N-cyclopentylbenzamide
CID 9214750
N-(3-chloro-2-methylphenyl)-3H-benzimidazole-5-sulfonamide
CID 110760025

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chloro-2-methylphenyl)sulfamoyl]-N-cyclopentyl-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6-[(3-chloro-2-methylphenyl)sulfamoyl]-N-cyclopentyl-4-oxo-1H-quinoline-3-carboxamide (CID 15990667) is 6-[(3-chloro-2-methylphenyl)sulfamoyl]-N-cyclopentyl-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-[(3-chloro-2-methylphenyl)sulfamoyl]-N-cyclopentyl-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-[(3-chloro-2-methylphenyl)sulfamoyl]-N-cyclopentyl-4-oxo-1H-quinoline-3-carboxamide is Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2[nH]cc(C(=O)NC3CCCC3)c(=O)c2c1.
What is the InChIKey of 6-[(3-chloro-2-methylphenyl)sulfamoyl]-N-cyclopentyl-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is OFWVAHGTBWWKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O4S/c1-13-18(23)7-4-8-19(13)26-31(29,30)15-9-10-20-16(11-15)21(27)17(12-24-20)22(28)25-14-5-2-3-6-14/h4,7-12,14,26H,2-3,5-6H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 6-[(3-chloro-2-methylphenyl)sulfamoyl]-N-cyclopentyl-4-oxo-1H-quinoline-3-carboxamide?
6-[(3-chloro-2-methylphenyl)sulfamoyl]-N-cyclopentyl-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 459.96 g/mol, XLogP of 3.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chloro-2-methylphenyl)sulfamoyl]-N-cyclopentyl-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 15990667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).