4-chloro-N-cyclopentyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide

C23H25ClN2O3S — CID 3366760

IUPAC4-chloro-N-cyclopentyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
SMILESCc1cc2cc(CN(C3CCCC3)S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c2cc1C
InChIInChI=1S/C23H25ClN2O3S/c1-15-11-17-13-18(23(27)25-22(17)12-16(15)2)14-26(20-5-3-4-6-20)30(28,29)21-9-7-19(24)8-10-21/h7-13,20H,3-6,14H2,1-2H3,(H,25,27)
InChIKeyBWJJITUEZZPBGP-UHFFFAOYSA-N
MW444.98 g/mol
LogP4.93
Rot. Bonds5

About 4-chloro-N-cyclopentyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide

4-chloro-N-cyclopentyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide (PubChem CID 3366760) has the molecular formula C23H25ClN2O3S and a molecular weight of 444.98 g/mol. Its IUPAC name is 4-chloro-N-cyclopentyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-cyclopentyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
PubChem CID3366760
Molecular FormulaC23H25ClN2O3S
Molecular Weight444.98 g/mol
Exact Mass444.13
IUPAC Name4-chloro-N-cyclopentyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
SMILESCc1cc2cc(CN(C3CCCC3)S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c2cc1C
InChIInChI=1S/C23H25ClN2O3S/c1-15-11-17-13-18(23(27)25-22(17)12-16(15)2)14-26(20-5-3-4-6-20)30(28,29)21-9-7-19(24)8-10-21/h7-13,20H,3-6,14H2,1-2H3,(H,25,27)
InChIKeyBWJJITUEZZPBGP-UHFFFAOYSA-N
XLogP4.93
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.98
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-cyclopentyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide with MolForge

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Related Compounds

4-chloro-N-cyclohexyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1169194
N-cyclopentyl-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1165451
N-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide
CID 1168758
N-[(4-chlorophenyl)methyl]-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 5235777
methyl 4-[cyclopentyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]sulfamoyl]benzoate
CID 1165573
N-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 23821273
N-cyclohexyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1168686
N-cyclohexyl-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluorobenzenesulfonamide
CID 1162192
N-cyclohexyl-2-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1161601
N-cyclohexyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzenesulfonamide
CID 1165204
4-chloro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1073171
3-acetyl-N-cyclopentyl-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]benzenesulfonamide
CID 3184260

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopentyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-cyclopentyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide (CID 3366760) is 4-chloro-N-cyclopentyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-cyclopentyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-cyclopentyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide is Cc1cc2cc(CN(C3CCCC3)S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c2cc1C.
What is the InChIKey of 4-chloro-N-cyclopentyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The InChIKey is BWJJITUEZZPBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O3S/c1-15-11-17-13-18(23(27)25-22(17)12-16(15)2)14-26(20-5-3-4-6-20)30(28,29)21-9-7-19(24)8-10-21/h7-13,20H,3-6,14H2,1-2H3,(H,25,27).
What are the key properties of 4-chloro-N-cyclopentyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
4-chloro-N-cyclopentyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide has a molecular weight of 444.98 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopentyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 3366760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).