N-cyclohexyl-2-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide

C23H25FN2O3S — CID 1161601

IUPACN-cyclohexyl-2-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
SMILESCc1ccc2cc(CN(C3CCCCC3)S(=O)(=O)c3ccccc3F)c(=O)[nH]c2c1
InChIInChI=1S/C23H25FN2O3S/c1-16-11-12-17-14-18(23(27)25-21(17)13-16)15-26(19-7-3-2-4-8-19)30(28,29)22-10-6-5-9-20(22)24/h5-6,9-14,19H,2-4,7-8,15H2,1H3,(H,25,27)
InChIKeyPLCLRICJXQZMAS-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.50
Rot. Bonds5

About N-cyclohexyl-2-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide

N-cyclohexyl-2-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide (PubChem CID 1161601) has the molecular formula C23H25FN2O3S and a molecular weight of 428.53 g/mol. Its IUPAC name is N-cyclohexyl-2-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-2-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
PubChem CID1161601
Molecular FormulaC23H25FN2O3S
Molecular Weight428.53 g/mol
Exact Mass428.16
IUPAC NameN-cyclohexyl-2-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
SMILESCc1ccc2cc(CN(C3CCCCC3)S(=O)(=O)c3ccccc3F)c(=O)[nH]c2c1
InChIInChI=1S/C23H25FN2O3S/c1-16-11-12-17-14-18(23(27)25-21(17)13-16)15-26(19-7-3-2-4-8-19)30(28,29)22-10-6-5-9-20(22)24/h5-6,9-14,19H,2-4,7-8,15H2,1H3,(H,25,27)
InChIKeyPLCLRICJXQZMAS-UHFFFAOYSA-N
XLogP4.50
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(3-methylphenyl)ethyl]benzenesulfonamide
CID 1161752
N-tert-butyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]cyclohexanecarboxamide
CID 1399223
4-chloro-N-cyclopentyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 3366760
N-cyclopentyl-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1165451
N-cyclohexyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1168686
N-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide
CID 1168758
N-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 23821273
2-fluoro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 1161817
1-cyclohexyl-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-[(1S)-1-phenylethyl]thiourea
CID 40611913
N-[(4-fluorophenyl)methyl]-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1161628
1-cyclopentyl-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-methylphenyl)thiourea
CID 1141810
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3765229

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of N-cyclohexyl-2-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide (CID 1161601) is N-cyclohexyl-2-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-2-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-2-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide is Cc1ccc2cc(CN(C3CCCCC3)S(=O)(=O)c3ccccc3F)c(=O)[nH]c2c1.
What is the InChIKey of N-cyclohexyl-2-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The InChIKey is PLCLRICJXQZMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3S/c1-16-11-12-17-14-18(23(27)25-21(17)13-16)15-26(19-7-3-2-4-8-19)30(28,29)22-10-6-5-9-20(22)24/h5-6,9-14,19H,2-4,7-8,15H2,1H3,(H,25,27).
What are the key properties of N-cyclohexyl-2-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
N-cyclohexyl-2-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide has a molecular weight of 428.53 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 1161601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).