7-chloro-4-methyl-N-(3-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide

C17H15ClN2O3S — CID 99978032

IUPAC7-chloro-4-methyl-N-(3-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc3c(C)cc(=O)[nH]c3cc2Cl)c1
InChIInChI=1S/C17H15ClN2O3S/c1-10-4-3-5-12(6-10)20-24(22,23)16-8-13-11(2)7-17(21)19-15(13)9-14(16)18/h3-9,20H,1-2H3,(H,19,21)
InChIKeyPFSJJMHZVNRCNO-UHFFFAOYSA-N
MW362.84 g/mol
LogP3.60
Rot. Bonds3

About 7-chloro-4-methyl-N-(3-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide

7-chloro-4-methyl-N-(3-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide (PubChem CID 99978032) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is 7-chloro-4-methyl-N-(3-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name7-chloro-4-methyl-N-(3-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide
PubChem CID99978032
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC Name7-chloro-4-methyl-N-(3-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc3c(C)cc(=O)[nH]c3cc2Cl)c1
InChIInChI=1S/C17H15ClN2O3S/c1-10-4-3-5-12(6-10)20-24(22,23)16-8-13-11(2)7-17(21)19-15(13)9-14(16)18/h3-9,20H,1-2H3,(H,19,21)
InChIKeyPFSJJMHZVNRCNO-UHFFFAOYSA-N
XLogP3.60
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-4-methyl-N-(2-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide
CID 99978057
4,8-dimethyl-N-(3-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide
CID 16824699
5-amino-2-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide
CID 61111881
4-methyl-2-oxo-N-phenyl-1H-quinoline-6-sulfonamide
CID 16804856
2,5-dichloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 989106
6-[(3-methylphenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxylic acid
CID 2396440
6-chloro-N-(3-fluoro-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 53092136
methyl 3-chloro-4-[(3-methylphenyl)sulfamoyl]benzoate
CID 60621327
6-chloro-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 53092160
N-(3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 752841
4-chloro-N-(3,5-dimethylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126388373
2,4-dibromo-N-(3-methylphenyl)benzenesulfonamide
CID 47257416

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methyl-N-(3-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide?
The IUPAC name of 7-chloro-4-methyl-N-(3-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide (CID 99978032) is 7-chloro-4-methyl-N-(3-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide.
What is the SMILES notation for 7-chloro-4-methyl-N-(3-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide?
The canonical SMILES for 7-chloro-4-methyl-N-(3-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide is Cc1cccc(NS(=O)(=O)c2cc3c(C)cc(=O)[nH]c3cc2Cl)c1.
What is the InChIKey of 7-chloro-4-methyl-N-(3-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide?
The InChIKey is PFSJJMHZVNRCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c1-10-4-3-5-12(6-10)20-24(22,23)16-8-13-11(2)7-17(21)19-15(13)9-14(16)18/h3-9,20H,1-2H3,(H,19,21).
What are the key properties of 7-chloro-4-methyl-N-(3-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide?
7-chloro-4-methyl-N-(3-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide has a molecular weight of 362.84 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methyl-N-(3-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 99978032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).