4-cyano-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide

C12H16N2O2S2 — CID 113239018

IUPAC4-cyano-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide
SMILESCSCCC(C)NS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C12H16N2O2S2/c1-10(7-8-17-2)14-18(15,16)12-5-3-11(9-13)4-6-12/h3-6,10,14H,7-8H2,1-2H3
InChIKeyNAWBLYJZFMYXRV-UHFFFAOYSA-N
MW284.41 g/mol
LogP1.98
Rot. Bonds6

About 4-cyano-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide

4-cyano-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide (PubChem CID 113239018) has the molecular formula C12H16N2O2S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-cyano-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide
PubChem CID113239018
Molecular FormulaC12H16N2O2S2
Molecular Weight284.41 g/mol
Exact Mass284.07
IUPAC Name4-cyano-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide
SMILESCSCCC(C)NS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C12H16N2O2S2/c1-10(7-8-17-2)14-18(15,16)12-5-3-11(9-13)4-6-12/h3-6,10,14H,7-8H2,1-2H3
InChIKeyNAWBLYJZFMYXRV-UHFFFAOYSA-N
XLogP1.98
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-cyano-N-(4-methylsulfanylbutan-2-yl)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

4-cyano-N-(4-ethylsulfanylbutan-2-yl)benzenesulfonamide
CID 115662739
4-cyano-N-[(2R)-5-(diethylamino)pentan-2-yl]benzenesulfonamide
CID 8000367
[(4S)-4-[(4-cyanophenyl)sulfonylamino]pentyl]-diethylazanium
CID 8000368
4-amino-3-bromo-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 113476908
4-cyano-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 47392283
2-cyano-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
CID 106546133
3-cyano-N-(4-ethylsulfanylbutan-2-yl)benzenesulfonamide
CID 115662747
3-cyano-2-fluoro-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 136571325
4-(cyanomethyl)-N-(4-ethylsulfanylbutan-2-yl)benzenesulfonamide
CID 115672028
4-methoxy-3-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 106080152
4-cyano-N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzenesulfonamide
CID 25047906
3-cyano-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 42999377

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide (CID 113239018) is 4-cyano-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide is CSCCC(C)NS(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide?
The InChIKey is NAWBLYJZFMYXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S2/c1-10(7-8-17-2)14-18(15,16)12-5-3-11(9-13)4-6-12/h3-6,10,14H,7-8H2,1-2H3.
What are the key properties of 4-cyano-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide?
4-cyano-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide has a molecular weight of 284.41 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 113239018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).