5-cyano-2-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide

C15H20N2O3S — CID 103743788

IUPAC5-cyano-2-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
SMILESCc1ccc(C#N)cc1S(=O)(=O)NCC1(C)CCOCC1
InChIInChI=1S/C15H20N2O3S/c1-12-3-4-13(10-16)9-14(12)21(18,19)17-11-15(2)5-7-20-8-6-15/h3-4,9,17H,5-8,11H2,1-2H3
InChIKeyXNPGVELDZUJGHK-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.96
Rot. Bonds4

About 5-cyano-2-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide

5-cyano-2-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide (PubChem CID 103743788) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 5-cyano-2-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-cyano-2-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
PubChem CID103743788
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name5-cyano-2-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
SMILESCc1ccc(C#N)cc1S(=O)(=O)NCC1(C)CCOCC1
InChIInChI=1S/C15H20N2O3S/c1-12-3-4-13(10-16)9-14(12)21(18,19)17-11-15(2)5-7-20-8-6-15/h3-4,9,17H,5-8,11H2,1-2H3
InChIKeyXNPGVELDZUJGHK-UHFFFAOYSA-N
XLogP1.96
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-cyano-2-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide 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

5-cyano-2-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide
CID 115756395
5-cyano-N-[(1-methoxycyclobutyl)methyl]-2-methylbenzenesulfonamide
CID 103990150
2,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
CID 110875704
5-cyano-N-(3,3-dimethylbutyl)-2-methylbenzenesulfonamide
CID 115628616
4-cyano-2-methyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide
CID 106999019
5-cyano-N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide
CID 115902839
5-cyano-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616340
5-cyano-N-[(4-methyloxan-4-yl)methyl]thiophene-2-sulfonamide
CID 106269750
N-(4-aminobutyl)-5-cyano-2-methylbenzenesulfonamide;hydrochloride
CID 120583646
5-cyano-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 115302942
5-cyano-N-[(2-hydroxyphenyl)methyl]-2-methylbenzenesulfonamide
CID 115753827
N-[(1-aminocycloheptyl)methyl]-4-cyano-2-methylbenzenesulfonamide
CID 119998644

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 5-cyano-2-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide (CID 103743788) is 5-cyano-2-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-cyano-2-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 5-cyano-2-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide is Cc1ccc(C#N)cc1S(=O)(=O)NCC1(C)CCOCC1.
What is the InChIKey of 5-cyano-2-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide?
The InChIKey is XNPGVELDZUJGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-12-3-4-13(10-16)9-14(12)21(18,19)17-11-15(2)5-7-20-8-6-15/h3-4,9,17H,5-8,11H2,1-2H3.
What are the key properties of 5-cyano-2-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide?
5-cyano-2-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide has a molecular weight of 308.40 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 103743788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).