1-methyl-N-(2-methylphenyl)-2-oxoquinoline-6-sulfonamide

C17H16N2O3S — CID 70985171

IUPAC1-methyl-N-(2-methylphenyl)-2-oxoquinoline-6-sulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc2c(ccc(=O)n2C)c1
InChIInChI=1S/C17H16N2O3S/c1-12-5-3-4-6-15(12)18-23(21,22)14-8-9-16-13(11-14)7-10-17(20)19(16)2/h3-11,18H,1-2H3
InChIKeyYRDRJTUBAWMSPI-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.65
Rot. Bonds3

About 1-methyl-N-(2-methylphenyl)-2-oxoquinoline-6-sulfonamide

1-methyl-N-(2-methylphenyl)-2-oxoquinoline-6-sulfonamide (PubChem CID 70985171) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-methyl-N-(2-methylphenyl)-2-oxoquinoline-6-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(2-methylphenyl)-2-oxoquinoline-6-sulfonamide
PubChem CID70985171
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name1-methyl-N-(2-methylphenyl)-2-oxoquinoline-6-sulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc2c(ccc(=O)n2C)c1
InChIInChI=1S/C17H16N2O3S/c1-12-5-3-4-6-15(12)18-23(21,22)14-8-9-16-13(11-14)7-10-17(20)19(16)2/h3-11,18H,1-2H3
InChIKeyYRDRJTUBAWMSPI-UHFFFAOYSA-N
XLogP2.65
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)naphthalene-2-sulfonamide
CID 3308551
N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-1-methyl-2-oxoquinoline-6-sulfonamide
CID 91155480
N-(2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 95234534
N-(2-methylphenyl)-3-[3-[(2-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 2833501
2-bromo-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
CID 132572107
9-hydroxyimino-2-N,7-N-bis(2-methylphenyl)fluorene-2,7-disulfonamide
CID 1159157
1,3,6-trimethyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide
CID 53092106
3-chloro-N-(2-methylphenyl)benzenesulfonamide
CID 26952259
1-methyl-N-(2-methyl-5-phenylphenyl)-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide
CID 21015304
4-cyano-2-methyl-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
CID 118918695
2-N,7-N-bis(2,3-dimethylphenyl)-9-oxofluorene-2,7-disulfonamide
CID 988110
4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 4214214

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methylphenyl)-2-oxoquinoline-6-sulfonamide?
The IUPAC name of 1-methyl-N-(2-methylphenyl)-2-oxoquinoline-6-sulfonamide (CID 70985171) is 1-methyl-N-(2-methylphenyl)-2-oxoquinoline-6-sulfonamide.
What is the SMILES notation for 1-methyl-N-(2-methylphenyl)-2-oxoquinoline-6-sulfonamide?
The canonical SMILES for 1-methyl-N-(2-methylphenyl)-2-oxoquinoline-6-sulfonamide is Cc1ccccc1NS(=O)(=O)c1ccc2c(ccc(=O)n2C)c1.
What is the InChIKey of 1-methyl-N-(2-methylphenyl)-2-oxoquinoline-6-sulfonamide?
The InChIKey is YRDRJTUBAWMSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-12-5-3-4-6-15(12)18-23(21,22)14-8-9-16-13(11-14)7-10-17(20)19(16)2/h3-11,18H,1-2H3.
What are the key properties of 1-methyl-N-(2-methylphenyl)-2-oxoquinoline-6-sulfonamide?
1-methyl-N-(2-methylphenyl)-2-oxoquinoline-6-sulfonamide has a molecular weight of 328.39 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methylphenyl)-2-oxoquinoline-6-sulfonamide is sourced from PubChem (CID 70985171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).