N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methanesulfonamide

C16H18N2O3S — CID 158830011

IUPACN-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(CC(=O)CCc2cccnc2)cc1
InChIInChI=1S/C16H18N2O3S/c1-22(20,21)18-15-7-4-13(5-8-15)11-16(19)9-6-14-3-2-10-17-12-14/h2-5,7-8,10,12,18H,6,9,11H2,1H3
InChIKeyIWXRAQQIRLJSPB-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.20
Rot. Bonds7

About N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methanesulfonamide

N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methanesulfonamide (PubChem CID 158830011) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methanesulfonamide
PubChem CID158830011
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(CC(=O)CCc2cccnc2)cc1
InChIInChI=1S/C16H18N2O3S/c1-22(20,21)18-15-7-4-13(5-8-15)11-16(19)9-6-14-3-2-10-17-12-14/h2-5,7-8,10,12,18H,6,9,11H2,1H3
InChIKeyIWXRAQQIRLJSPB-UHFFFAOYSA-N
XLogP2.20
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-1-phenylmethanesulfonamide
CID 147985975
4-(3-methylbutanoyl)-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide
CID 158304763
5-chloro-2-methoxy-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide
CID 147240975
1-(3,5-dimethylphenyl)-4-pyridin-3-ylbutan-2-one
CID 105081292
2,3-dimethyl-4-oxo-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]quinazoline-6-sulfonamide
CID 159742986
1-[4-[2-(4-tert-butylphenyl)acetyl]phenyl]-4-pyridin-3-ylbutan-2-one
CID 159913920
1-pyridin-3-yl-4-pyridin-4-ylbutan-2-one
CID 105127753
N-cyclohexyl-3-[[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]sulfamoyl]benzamide
CID 149385041
1-amino-4-pyridin-3-ylbutan-2-one
CID 82414894
6-methyl-1-pyridin-3-ylheptane-3,5-dione
CID 159181392
N-[2-[(2S)-2-hydroxypropoxy]phenyl]-4-(2-oxo-4-pyridin-3-ylbutyl)benzenesulfonamide
CID 165042728
3-methoxy-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfinamide
CID 160666962

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methanesulfonamide (CID 158830011) is N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(CC(=O)CCc2cccnc2)cc1.
What is the InChIKey of N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methanesulfonamide?
The InChIKey is IWXRAQQIRLJSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-22(20,21)18-15-7-4-13(5-8-15)11-16(19)9-6-14-3-2-10-17-12-14/h2-5,7-8,10,12,18H,6,9,11H2,1H3.
What are the key properties of N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methanesulfonamide?
N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methanesulfonamide has a molecular weight of 318.40 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methanesulfonamide is sourced from PubChem (CID 158830011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).