N-(2-bromo-5-methylphenyl)-3-cyanobenzenesulfonamide

C14H11BrN2O2S — CID 82705509

IUPACN-(2-bromo-5-methylphenyl)-3-cyanobenzenesulfonamide
SMILESCc1ccc(Br)c(NS(=O)(=O)c2cccc(C#N)c2)c1
InChIInChI=1S/C14H11BrN2O2S/c1-10-5-6-13(15)14(7-10)17-20(18,19)12-4-2-3-11(8-12)9-16/h2-8,17H,1H3
InChIKeyASBHZQKAQQDPLC-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.43
Rot. Bonds3

About N-(2-bromo-5-methylphenyl)-3-cyanobenzenesulfonamide

N-(2-bromo-5-methylphenyl)-3-cyanobenzenesulfonamide (PubChem CID 82705509) has the molecular formula C14H11BrN2O2S and a molecular weight of 351.23 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-3-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-3-cyanobenzenesulfonamide
PubChem CID82705509
Molecular FormulaC14H11BrN2O2S
Molecular Weight351.23 g/mol
Exact Mass349.97
IUPAC NameN-(2-bromo-5-methylphenyl)-3-cyanobenzenesulfonamide
SMILESCc1ccc(Br)c(NS(=O)(=O)c2cccc(C#N)c2)c1
InChIInChI=1S/C14H11BrN2O2S/c1-10-5-6-13(15)14(7-10)17-20(18,19)12-4-2-3-11(8-12)9-16/h2-8,17H,1H3
InChIKeyASBHZQKAQQDPLC-UHFFFAOYSA-N
XLogP3.43
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-5-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 103866062
3-cyano-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide
CID 64794037
N-(4-bromo-2-ethylphenyl)-3-cyanobenzenesulfonamide
CID 80970330
N-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide
CID 7938773
N-(4-bromo-3-chlorophenyl)-3-cyanobenzenesulfonamide
CID 103822995
4-amino-3-bromo-N-(2-bromo-5-methylphenyl)benzenesulfonamide
CID 82761297
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26498995
3-cyano-N-(2-iodophenyl)benzenesulfonamide
CID 7938667
3-cyano-N-(2,4,5-trifluorophenyl)benzenesulfonamide
CID 62815564
3-cyano-N-(2,6-difluorophenyl)benzenesulfonamide
CID 8500884
3-cyano-N-(2,3-difluorophenyl)benzenesulfonamide
CID 47336983
(2-bromo-4-methylphenyl) 3-cyanobenzenesulfonate
CID 26946860

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-3-cyanobenzenesulfonamide?
The IUPAC name of N-(2-bromo-5-methylphenyl)-3-cyanobenzenesulfonamide (CID 82705509) is N-(2-bromo-5-methylphenyl)-3-cyanobenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-3-cyanobenzenesulfonamide?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-3-cyanobenzenesulfonamide is Cc1ccc(Br)c(NS(=O)(=O)c2cccc(C#N)c2)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-3-cyanobenzenesulfonamide?
The InChIKey is ASBHZQKAQQDPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2S/c1-10-5-6-13(15)14(7-10)17-20(18,19)12-4-2-3-11(8-12)9-16/h2-8,17H,1H3.
What are the key properties of N-(2-bromo-5-methylphenyl)-3-cyanobenzenesulfonamide?
N-(2-bromo-5-methylphenyl)-3-cyanobenzenesulfonamide has a molecular weight of 351.23 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methylphenyl)-3-cyanobenzenesulfonamide is sourced from PubChem (CID 82705509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).