N-benzyl-3,4-dichloro-N-[(2-cyanophenyl)methyl]benzenesulfonamide

C21H16Cl2N2O2S — CID 2695360

IUPACN-benzyl-3,4-dichloro-N-[(2-cyanophenyl)methyl]benzenesulfonamide
SMILESN#Cc1ccccc1CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H16Cl2N2O2S/c22-20-11-10-19(12-21(20)23)28(26,27)25(14-16-6-2-1-3-7-16)15-18-9-5-4-8-17(18)13-24/h1-12H,14-15H2
InChIKeyQYWOOMFQNNFYPH-UHFFFAOYSA-N
MW431.34 g/mol
LogP5.26
Rot. Bonds6

About N-benzyl-3,4-dichloro-N-[(2-cyanophenyl)methyl]benzenesulfonamide

N-benzyl-3,4-dichloro-N-[(2-cyanophenyl)methyl]benzenesulfonamide (PubChem CID 2695360) has the molecular formula C21H16Cl2N2O2S and a molecular weight of 431.34 g/mol. Its IUPAC name is N-benzyl-3,4-dichloro-N-[(2-cyanophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-3,4-dichloro-N-[(2-cyanophenyl)methyl]benzenesulfonamide
PubChem CID2695360
Molecular FormulaC21H16Cl2N2O2S
Molecular Weight431.34 g/mol
Exact Mass430.03
IUPAC NameN-benzyl-3,4-dichloro-N-[(2-cyanophenyl)methyl]benzenesulfonamide
SMILESN#Cc1ccccc1CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H16Cl2N2O2S/c22-20-11-10-19(12-21(20)23)28(26,27)25(14-16-6-2-1-3-7-16)15-18-9-5-4-8-17(18)13-24/h1-12H,14-15H2
InChIKeyQYWOOMFQNNFYPH-UHFFFAOYSA-N
XLogP5.26
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.34
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-3,4-dichloro-N-[(2-cyanophenyl)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

N-benzyl-N-[(2-cyanophenyl)methyl]-2-fluorobenzenesulfonamide
CID 2695392
4-[[(3,4-dichlorophenyl)sulfonyl-(3-phenylpropyl)amino]methyl]benzoic acid
CID 66978824
3-chloro-N-[(3-cyano-2-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 19844895
3,4-dichloro-N-(furan-2-ylmethyl)-N-[(4-nitrophenyl)methyl]benzenesulfonamide
CID 4792591
N-benzyl-4-chloro-N-(cyanomethyl)benzenesulfonamide
CID 51141061
N,N-dibenzyl-6-chloropyridine-3-sulfonamide
CID 2433225
N-benzyl-N-[(2-chlorophenyl)methyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide
CID 1177003
ethyl 4-[[benzyl-(3,4-dichlorophenyl)sulfonylamino]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 53091964
2-[benzyl-(3-chloro-4-nitrophenyl)sulfonylamino]-N-hydroxyacetamide
CID 10763488
N-benzyl-1-(2-cyanophenyl)-N-methylmethanesulfonamide
CID 29299050
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenyl)benzamide
CID 55381133
N-benzyl-N-(cyanomethyl)benzenesulfonamide
CID 51258343

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,4-dichloro-N-[(2-cyanophenyl)methyl]benzenesulfonamide?
The IUPAC name of N-benzyl-3,4-dichloro-N-[(2-cyanophenyl)methyl]benzenesulfonamide (CID 2695360) is N-benzyl-3,4-dichloro-N-[(2-cyanophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-3,4-dichloro-N-[(2-cyanophenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-3,4-dichloro-N-[(2-cyanophenyl)methyl]benzenesulfonamide is N#Cc1ccccc1CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-benzyl-3,4-dichloro-N-[(2-cyanophenyl)methyl]benzenesulfonamide?
The InChIKey is QYWOOMFQNNFYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O2S/c22-20-11-10-19(12-21(20)23)28(26,27)25(14-16-6-2-1-3-7-16)15-18-9-5-4-8-17(18)13-24/h1-12H,14-15H2.
What are the key properties of N-benzyl-3,4-dichloro-N-[(2-cyanophenyl)methyl]benzenesulfonamide?
N-benzyl-3,4-dichloro-N-[(2-cyanophenyl)methyl]benzenesulfonamide has a molecular weight of 431.34 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,4-dichloro-N-[(2-cyanophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 2695360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).