N-(5-cyano-2-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide

C13H16N2O3S — CID 63246993

IUPACN-(5-cyano-2-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCc1ccc(C#N)cc1NS(=O)(=O)CC1CCCO1
InChIInChI=1S/C13H16N2O3S/c1-10-4-5-11(8-14)7-13(10)15-19(16,17)9-12-3-2-6-18-12/h4-5,7,12,15H,2-3,6,9H2,1H3
InChIKeyMACDJDIXCTZFRV-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.79
Rot. Bonds4

About N-(5-cyano-2-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide

N-(5-cyano-2-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 63246993) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(5-cyano-2-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-cyano-2-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID63246993
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-(5-cyano-2-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCc1ccc(C#N)cc1NS(=O)(=O)CC1CCCO1
InChIInChI=1S/C13H16N2O3S/c1-10-4-5-11(8-14)7-13(10)15-19(16,17)9-12-3-2-6-18-12/h4-5,7,12,15H,2-3,6,9H2,1H3
InChIKeyMACDJDIXCTZFRV-UHFFFAOYSA-N
XLogP1.79
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-cyano-2-methylphenyl)-1-(oxolan-2-yl)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-(3-cyanophenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247332
4-methyl-3-[3-(oxolan-2-yl)propylamino]benzonitrile
CID 65163795
N-[(4-cyanophenyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 62733317
N-[2-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63247049
N-(2-hydroxy-4-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247039
N-(5-cyano-2-methylphenyl)-1-methylsulfonylmethanesulfonamide
CID 82842924
N-[2-(methylaminomethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63247176
N-(4-amino-3-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246840
2-methyl-3-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
CID 63247225
N-(4-amino-2-chlorophenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246560
4-cyano-2-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 103990968
N-(2-chloro-4-iodophenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 113238115

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(5-cyano-2-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide (CID 63246993) is N-(5-cyano-2-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(5-cyano-2-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(5-cyano-2-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide is Cc1ccc(C#N)cc1NS(=O)(=O)CC1CCCO1.
What is the InChIKey of N-(5-cyano-2-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is MACDJDIXCTZFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-10-4-5-11(8-14)7-13(10)15-19(16,17)9-12-3-2-6-18-12/h4-5,7,12,15H,2-3,6,9H2,1H3.
What are the key properties of N-(5-cyano-2-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide?
N-(5-cyano-2-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 63246993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).