3-chloro-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide

C19H19ClN2O3S — CID 110325232

IUPAC3-chloro-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cc3ccc(C)c(C)c3[nH]c2=O)cc1Cl
InChIInChI=1S/C19H19ClN2O3S/c1-11-4-6-14-8-15(19(23)22-18(14)13(11)3)10-21-26(24,25)16-7-5-12(2)17(20)9-16/h4-9,21H,10H2,1-3H3,(H,22,23)
InChIKeyVQPYRXASDRJIGR-UHFFFAOYSA-N
MW390.89 g/mol
LogP3.59
Rot. Bonds4

About 3-chloro-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide

3-chloro-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide (PubChem CID 110325232) has the molecular formula C19H19ClN2O3S and a molecular weight of 390.89 g/mol. Its IUPAC name is 3-chloro-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide
PubChem CID110325232
Molecular FormulaC19H19ClN2O3S
Molecular Weight390.89 g/mol
Exact Mass390.08
IUPAC Name3-chloro-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cc3ccc(C)c(C)c3[nH]c2=O)cc1Cl
InChIInChI=1S/C19H19ClN2O3S/c1-11-4-6-14-8-15(19(23)22-18(14)13(11)3)10-21-26(24,25)16-7-5-12(2)17(20)9-16/h4-9,21H,10H2,1-3H3,(H,22,23)
InChIKeyVQPYRXASDRJIGR-UHFFFAOYSA-N
XLogP3.59
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide with MolForge

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Related Compounds

4-chloro-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
CID 22430774
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 110326222
3-[(3-chloro-4-methylanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 25318828
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110325136
3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 3673362
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluorobenzenesulfonamide
CID 110325328
3-chloro-4-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzenesulfonamide
CID 110642107
3-[(benzylamino)methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 864730
4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324590
3-chloro-N-[(3-iodophenyl)methyl]-4-methylbenzenesulfonamide
CID 5017106
3-chloro-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 3299523
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110324489

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide (CID 110325232) is 3-chloro-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2cc3ccc(C)c(C)c3[nH]c2=O)cc1Cl.
What is the InChIKey of 3-chloro-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is VQPYRXASDRJIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3S/c1-11-4-6-14-8-15(19(23)22-18(14)13(11)3)10-21-26(24,25)16-7-5-12(2)17(20)9-16/h4-9,21H,10H2,1-3H3,(H,22,23).
What are the key properties of 3-chloro-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide?
3-chloro-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 390.89 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 110325232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).