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

C17H15ClN2O3S — CID 99978057

IUPAC7-chloro-4-methyl-N-(2-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1cc2c(C)cc(=O)[nH]c2cc1Cl
InChIInChI=1S/C17H15ClN2O3S/c1-10-5-3-4-6-14(10)20-24(22,23)16-8-12-11(2)7-17(21)19-15(12)9-13(16)18/h3-9,20H,1-2H3,(H,19,21)
InChIKeyMGCMDLNLEHJPHA-UHFFFAOYSA-N
MW362.84 g/mol
LogP3.60
Rot. Bonds3

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

7-chloro-4-methyl-N-(2-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide (PubChem CID 99978057) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is 7-chloro-4-methyl-N-(2-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name7-chloro-4-methyl-N-(2-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide
PubChem CID99978057
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC Name7-chloro-4-methyl-N-(2-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1cc2c(C)cc(=O)[nH]c2cc1Cl
InChIInChI=1S/C17H15ClN2O3S/c1-10-5-3-4-6-14(10)20-24(22,23)16-8-12-11(2)7-17(21)19-15(12)9-13(16)18/h3-9,20H,1-2H3,(H,19,21)
InChIKeyMGCMDLNLEHJPHA-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

2,5-dichloro-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 1258973
2-chloro-4-cyano-N-(2-methylphenyl)benzenesulfonamide
CID 103988459
4-chloro-2,5-dimethoxy-N-(2-methylphenyl)benzenesulfonamide
CID 163343299
4-chloro-3-[(2-methylphenyl)sulfamoyl]benzenecarbothioamide
CID 80694028
4-bromo-2,6-dichloro-N-(2-methylphenyl)benzenesulfonamide
CID 47104330
4-hydroxy-1-N,3-N-bis(2-methylphenyl)naphthalene-1,3-disulfonamide
CID 86634478
4-methyl-2-oxo-N-phenyl-1H-quinoline-6-sulfonamide
CID 16804856
5-amino-2,3-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 29288655
3-chloro-N-(2-methylphenyl)benzenesulfonamide
CID 26952259
N-(2-chlorophenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
CID 20945830
3-amino-5-chloro-2-fluoro-N-(2-methylphenyl)benzenesulfonamide
CID 103050305
4-chloro-N-(2-methylphenyl)-3-nitrobenzenesulfonamide
CID 7593889

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methyl-N-(2-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide?
The IUPAC name of 7-chloro-4-methyl-N-(2-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide (CID 99978057) is 7-chloro-4-methyl-N-(2-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide.
What is the SMILES notation for 7-chloro-4-methyl-N-(2-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide?
The canonical SMILES for 7-chloro-4-methyl-N-(2-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide is Cc1ccccc1NS(=O)(=O)c1cc2c(C)cc(=O)[nH]c2cc1Cl.
What is the InChIKey of 7-chloro-4-methyl-N-(2-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide?
The InChIKey is MGCMDLNLEHJPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c1-10-5-3-4-6-14(10)20-24(22,23)16-8-12-11(2)7-17(21)19-15(12)9-13(16)18/h3-9,20H,1-2H3,(H,19,21).
What are the key properties of 7-chloro-4-methyl-N-(2-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide?
7-chloro-4-methyl-N-(2-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-(2-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 99978057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).