N,N-dibenzyl-2-cyanobenzenesulfonamide

C21H18N2O2S — CID 127507057

IUPACN,N-dibenzyl-2-cyanobenzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H18N2O2S/c22-15-20-13-7-8-14-21(20)26(24,25)23(16-18-9-3-1-4-10-18)17-19-11-5-2-6-12-19/h1-14H,16-17H2
InChIKeyDMKVZAYXVNTCJZ-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.95
Rot. Bonds6

About N,N-dibenzyl-2-cyanobenzenesulfonamide

N,N-dibenzyl-2-cyanobenzenesulfonamide (PubChem CID 127507057) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is N,N-dibenzyl-2-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-cyanobenzenesulfonamide
PubChem CID127507057
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC NameN,N-dibenzyl-2-cyanobenzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H18N2O2S/c22-15-20-13-7-8-14-21(20)26(24,25)23(16-18-9-3-1-4-10-18)17-19-11-5-2-6-12-19/h1-14H,16-17H2
InChIKeyDMKVZAYXVNTCJZ-UHFFFAOYSA-N
XLogP3.95
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-cyanobenzenesulfonamide?
The IUPAC name of N,N-dibenzyl-2-cyanobenzenesulfonamide (CID 127507057) is N,N-dibenzyl-2-cyanobenzenesulfonamide.
What is the SMILES notation for N,N-dibenzyl-2-cyanobenzenesulfonamide?
The canonical SMILES for N,N-dibenzyl-2-cyanobenzenesulfonamide is N#Cc1ccccc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-2-cyanobenzenesulfonamide?
The InChIKey is DMKVZAYXVNTCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c22-15-20-13-7-8-14-21(20)26(24,25)23(16-18-9-3-1-4-10-18)17-19-11-5-2-6-12-19/h1-14H,16-17H2.
What are the key properties of N,N-dibenzyl-2-cyanobenzenesulfonamide?
N,N-dibenzyl-2-cyanobenzenesulfonamide has a molecular weight of 362.45 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-cyanobenzenesulfonamide is sourced from PubChem (CID 127507057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).