N-cyclohexyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide

C17H22N2O3S — CID 667282

IUPACN-cyclohexyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1cc2ccccc2[nH]c1=O)C1CCCCC1
InChIInChI=1S/C17H22N2O3S/c1-23(21,22)19(15-8-3-2-4-9-15)12-14-11-13-7-5-6-10-16(13)18-17(14)20/h5-7,10-11,15H,2-4,8-9,12H2,1H3,(H,18,20)
InChIKeyYGLDLSMARTWODG-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.62
Rot. Bonds4

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

N-cyclohexyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide (PubChem CID 667282) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-cyclohexyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
PubChem CID667282
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-cyclohexyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1cc2ccccc2[nH]c1=O)C1CCCCC1
InChIInChI=1S/C17H22N2O3S/c1-23(21,22)19(15-8-3-2-4-9-15)12-14-11-13-7-5-6-10-16(13)18-17(14)20/h5-7,10-11,15H,2-4,8-9,12H2,1H3,(H,18,20)
InChIKeyYGLDLSMARTWODG-UHFFFAOYSA-N
XLogP2.62
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide?
The IUPAC name of N-cyclohexyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide (CID 667282) is N-cyclohexyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide?
The canonical SMILES for N-cyclohexyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide is CS(=O)(=O)N(Cc1cc2ccccc2[nH]c1=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide?
The InChIKey is YGLDLSMARTWODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-23(21,22)19(15-8-3-2-4-9-15)12-14-11-13-7-5-6-10-16(13)18-17(14)20/h5-7,10-11,15H,2-4,8-9,12H2,1H3,(H,18,20).
What are the key properties of N-cyclohexyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide?
N-cyclohexyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide has a molecular weight of 334.44 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 667282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).