N-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide

C11H14ClN3O2S — CID 75431034

IUPACN-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide
SMILESCC(C)(N)CNS(=O)(=O)c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C11H14ClN3O2S/c1-11(2,14)7-15-18(16,17)9-4-3-8(6-13)10(12)5-9/h3-5,15H,7,14H2,1-2H3
InChIKeyWPKYSFLESYOKNG-UHFFFAOYSA-N
MW287.77 g/mol
LogP1.23
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide

N-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide (PubChem CID 75431034) has the molecular formula C11H14ClN3O2S and a molecular weight of 287.77 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide
PubChem CID75431034
Molecular FormulaC11H14ClN3O2S
Molecular Weight287.77 g/mol
Exact Mass287.05
IUPAC NameN-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide
SMILESCC(C)(N)CNS(=O)(=O)c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C11H14ClN3O2S/c1-11(2,14)7-15-18(16,17)9-4-3-8(6-13)10(12)5-9/h3-5,15H,7,14H2,1-2H3
InChIKeyWPKYSFLESYOKNG-UHFFFAOYSA-N
XLogP1.23
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide (CID 75431034) is N-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide is CC(C)(N)CNS(=O)(=O)c1ccc(C#N)c(Cl)c1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide?
The InChIKey is WPKYSFLESYOKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2S/c1-11(2,14)7-15-18(16,17)9-4-3-8(6-13)10(12)5-9/h3-5,15H,7,14H2,1-2H3.
What are the key properties of N-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide?
N-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide has a molecular weight of 287.77 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide is sourced from PubChem (CID 75431034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).