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

C25H24N2O3S — CID 2967360

IUPACN-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
SMILESCc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)S(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C25H24N2O3S/c1-17-10-12-24(19(3)13-17)27(31(29,30)22-7-5-4-6-8-22)16-21-15-20-11-9-18(2)14-23(20)26-25(21)28/h4-15H,16H2,1-3H3,(H,26,28)
InChIKeyCLBRMAAEXQKLAW-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.85
Rot. Bonds5

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

N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide (PubChem CID 2967360) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
PubChem CID2967360
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC NameN-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
SMILESCc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)S(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C25H24N2O3S/c1-17-10-12-24(19(3)13-17)27(31(29,30)22-7-5-4-6-8-22)16-21-15-20-11-9-18(2)14-23(20)26-25(21)28/h4-15H,16H2,1-3H3,(H,26,28)
InChIKeyCLBRMAAEXQKLAW-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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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide (CID 2967360) is N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide is Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)S(=O)(=O)c2ccccc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The InChIKey is CLBRMAAEXQKLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-17-10-12-24(19(3)13-17)27(31(29,30)22-7-5-4-6-8-22)16-21-15-20-11-9-18(2)14-23(20)26-25(21)28/h4-15H,16H2,1-3H3,(H,26,28).
What are the key properties of N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
N-(2,4-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-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 2967360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).