N-(4-cyanophenyl)-3,3-dimethylbutane-1-sulfonamide

C13H18N2O2S — CID 103727884

IUPACN-(4-cyanophenyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C13H18N2O2S/c1-13(2,3)8-9-18(16,17)15-12-6-4-11(10-14)5-7-12/h4-7,15H,8-9H2,1-3H3
InChIKeyYAHWZIZFLLUFIC-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.74
Rot. Bonds4

About N-(4-cyanophenyl)-3,3-dimethylbutane-1-sulfonamide

N-(4-cyanophenyl)-3,3-dimethylbutane-1-sulfonamide (PubChem CID 103727884) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3,3-dimethylbutane-1-sulfonamide
PubChem CID103727884
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-(4-cyanophenyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C13H18N2O2S/c1-13(2,3)8-9-18(16,17)15-12-6-4-11(10-14)5-7-12/h4-7,15H,8-9H2,1-3H3
InChIKeyYAHWZIZFLLUFIC-UHFFFAOYSA-N
XLogP2.74
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-cyanophenyl)-3,3-dimethylbutane-1-sulfonamide 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-cyano-2-methoxyphenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103521156
N-[4-(chloromethyl)phenyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521723
N-(4-formylphenyl)-3,3-dimethylbutane-1-sulfonamide
CID 106912861
N-(4-cyanophenyl)-1-phenylmethanesulfonamide
CID 798666
N-(4-cyanophenyl)-2-[(4-cyanophenyl)sulfamoyl]acetamide
CID 138582531
N-(6-bromonaphthalen-2-yl)-3,3-dimethylbutane-1-sulfonamide
CID 103521261
(4-cyanophenyl)sulfamic acid
CID 15847253
3,3-dimethyl-N-[3-(methylaminomethyl)phenyl]butane-1-sulfonamide
CID 103521428
4-[(3-cyano-3-methylbutyl)amino]benzonitrile
CID 65249079
N-(2-iodophenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103727880
N-(3,5-dichloro-4-hydroxyphenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103521316
N-[4-(tert-butylamino)phenyl]propane-1-sulfonamide
CID 112984927

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(4-cyanophenyl)-3,3-dimethylbutane-1-sulfonamide (CID 103727884) is N-(4-cyanophenyl)-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(4-cyanophenyl)-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(4-cyanophenyl)-3,3-dimethylbutane-1-sulfonamide is CC(C)(C)CCS(=O)(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is YAHWZIZFLLUFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-13(2,3)8-9-18(16,17)15-12-6-4-11(10-14)5-7-12/h4-7,15H,8-9H2,1-3H3.
What are the key properties of N-(4-cyanophenyl)-3,3-dimethylbutane-1-sulfonamide?
N-(4-cyanophenyl)-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 266.37 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 103727884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).