N-benzyl-N-(2-cyanoethyl)-4-fluorobenzenesulfonamide

C16H15FN2O2S — CID 2813021

IUPACN-benzyl-N-(2-cyanoethyl)-4-fluorobenzenesulfonamide
SMILESN#CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H15FN2O2S/c17-15-7-9-16(10-8-15)22(20,21)19(12-4-11-18)13-14-5-2-1-3-6-14/h1-3,5-10H,4,12-13H2
InChIKeyMSLZMABZPKDFJU-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.93
Rot. Bonds6

About N-benzyl-N-(2-cyanoethyl)-4-fluorobenzenesulfonamide

N-benzyl-N-(2-cyanoethyl)-4-fluorobenzenesulfonamide (PubChem CID 2813021) has the molecular formula C16H15FN2O2S and a molecular weight of 318.37 g/mol. Its IUPAC name is N-benzyl-N-(2-cyanoethyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(2-cyanoethyl)-4-fluorobenzenesulfonamide
PubChem CID2813021
Molecular FormulaC16H15FN2O2S
Molecular Weight318.37 g/mol
Exact Mass318.08
IUPAC NameN-benzyl-N-(2-cyanoethyl)-4-fluorobenzenesulfonamide
SMILESN#CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H15FN2O2S/c17-15-7-9-16(10-8-15)22(20,21)19(12-4-11-18)13-14-5-2-1-3-6-14/h1-3,5-10H,4,12-13H2
InChIKeyMSLZMABZPKDFJU-UHFFFAOYSA-N
XLogP2.93
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-N-(2-cyanoethyl)-4-fluorobenzenesulfonamide 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-benzyl-N-(2-cyanoethyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-benzyl-N-(2-cyanoethyl)-4-fluorobenzenesulfonamide (CID 2813021) is N-benzyl-N-(2-cyanoethyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-(2-cyanoethyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-benzyl-N-(2-cyanoethyl)-4-fluorobenzenesulfonamide is N#CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-benzyl-N-(2-cyanoethyl)-4-fluorobenzenesulfonamide?
The InChIKey is MSLZMABZPKDFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2S/c17-15-7-9-16(10-8-15)22(20,21)19(12-4-11-18)13-14-5-2-1-3-6-14/h1-3,5-10H,4,12-13H2.
What are the key properties of N-benzyl-N-(2-cyanoethyl)-4-fluorobenzenesulfonamide?
N-benzyl-N-(2-cyanoethyl)-4-fluorobenzenesulfonamide has a molecular weight of 318.37 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-cyanoethyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 2813021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).