4-(cyanomethyl)-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide

C14H18N2O2S — CID 103721136

IUPAC4-(cyanomethyl)-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide
SMILESCC1(C)CC1CNS(=O)(=O)c1ccc(CC#N)cc1
InChIInChI=1S/C14H18N2O2S/c1-14(2)9-12(14)10-16-19(17,18)13-5-3-11(4-6-13)7-8-15/h3-6,12,16H,7,9-10H2,1-2H3
InChIKeyIRGJTIXMQCRZRE-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.08
Rot. Bonds5

About 4-(cyanomethyl)-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide

4-(cyanomethyl)-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 103721136) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-(cyanomethyl)-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(cyanomethyl)-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide
PubChem CID103721136
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name4-(cyanomethyl)-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide
SMILESCC1(C)CC1CNS(=O)(=O)c1ccc(CC#N)cc1
InChIInChI=1S/C14H18N2O2S/c1-14(2)9-12(14)10-16-19(17,18)13-5-3-11(4-6-13)7-8-15/h3-6,12,16H,7,9-10H2,1-2H3
InChIKeyIRGJTIXMQCRZRE-UHFFFAOYSA-N
XLogP2.08
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(cyanomethyl)-N-[(2,2-dimethylcyclopropyl)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

4-(cyanomethyl)-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 79185566
3-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide
CID 103659810
4-(cyanomethyl)-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270235
5-cyano-N-[(2,2-dimethylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 114166495
N-(2-amino-2-methylpropyl)-4-(cyanomethyl)benzenesulfonamide
CID 113282753
N-butyl-4-(cyanomethyl)benzenesulfonamide
CID 79186452
N-[(2,2-dimethylcyclopropyl)methyl]-3-hydroxybenzenesulfonamide
CID 114108635
4-(cyanomethyl)-N-(2-iodoethyl)benzenesulfonamide
CID 106442148
3-[[4-(cyanomethyl)phenyl]sulfonylamino]propanoic acid
CID 79185253
4-(cyanomethyl)-N-(2,3-dimethylbutyl)benzenesulfonamide
CID 79195635
2-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide
CID 103833642
4-(cyanomethyl)-N-(morpholin-3-ylmethyl)benzenesulfonamide
CID 103548799

Frequently Asked Questions

What is the IUPAC name of 4-(cyanomethyl)-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of 4-(cyanomethyl)-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide (CID 103721136) is 4-(cyanomethyl)-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(cyanomethyl)-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(cyanomethyl)-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide is CC1(C)CC1CNS(=O)(=O)c1ccc(CC#N)cc1.
What is the InChIKey of 4-(cyanomethyl)-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is IRGJTIXMQCRZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-14(2)9-12(14)10-16-19(17,18)13-5-3-11(4-6-13)7-8-15/h3-6,12,16H,7,9-10H2,1-2H3.
What are the key properties of 4-(cyanomethyl)-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide?
4-(cyanomethyl)-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide has a molecular weight of 278.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyanomethyl)-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 103721136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).