N-(3,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide

C25H24N2O3S — CID 23605192

IUPACN-(3,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
SMILESCc1ccc2cc(CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C25H24N2O3S/c1-17-9-11-20-15-21(25(28)26-24(20)13-17)16-27(22-12-10-18(2)19(3)14-22)31(29,30)23-7-5-4-6-8-23/h4-15H,16H2,1-3H3,(H,26,28)
InChIKeyBVQFJCCZFVWXMH-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.85
Rot. Bonds5

About N-(3,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide

N-(3,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide (PubChem CID 23605192) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
PubChem CID23605192
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC NameN-(3,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
SMILESCc1ccc2cc(CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C25H24N2O3S/c1-17-9-11-20-15-21(25(28)26-24(20)13-17)16-27(22-12-10-18(2)19(3)14-22)31(29,30)23-7-5-4-6-8-23/h4-15H,16H2,1-3H3,(H,26,28)
InChIKeyBVQFJCCZFVWXMH-UHFFFAOYSA-N
XLogP4.85
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 4911266
N-benzyl-4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1149817
N-[(4-fluorophenyl)methyl]-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1161628
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3765229
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 4972680
N-(2-hydroxyethyl)-4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1161687
N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 935269
N-(3,4-dimethylphenyl)-3-methoxy-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1419683
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzenesulfonamide
CID 4903834
2,2-dimethyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylpropanamide
CID 936088
4-acetyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 1161747
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbutanamide
CID 930092

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide (CID 23605192) is N-(3,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide is Cc1ccc2cc(CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The InChIKey is BVQFJCCZFVWXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-17-9-11-20-15-21(25(28)26-24(20)13-17)16-27(22-12-10-18(2)19(3)14-22)31(29,30)23-7-5-4-6-8-23/h4-15H,16H2,1-3H3,(H,26,28).
What are the key properties of N-(3,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
N-(3,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide has a molecular weight of 432.55 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 23605192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).