4-bromo-N-(4-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide

C13H7Br2ClN2O2S — CID 82695339

IUPAC4-bromo-N-(4-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide
SMILESN#Cc1cc(Br)ccc1NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H7Br2ClN2O2S/c14-9-1-3-12(8(5-9)7-17)18-21(19,20)13-4-2-10(15)6-11(13)16/h1-6,18H
InChIKeyDVUIRZZTNHEEGG-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.54
Rot. Bonds3

About 4-bromo-N-(4-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide

4-bromo-N-(4-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide (PubChem CID 82695339) has the molecular formula C13H7Br2ClN2O2S and a molecular weight of 450.54 g/mol. Its IUPAC name is 4-bromo-N-(4-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(4-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide
PubChem CID82695339
Molecular FormulaC13H7Br2ClN2O2S
Molecular Weight450.54 g/mol
Exact Mass447.83
IUPAC Name4-bromo-N-(4-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide
SMILESN#Cc1cc(Br)ccc1NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H7Br2ClN2O2S/c14-9-1-3-12(8(5-9)7-17)18-21(19,20)13-4-2-10(15)6-11(13)16/h1-6,18H
InChIKeyDVUIRZZTNHEEGG-UHFFFAOYSA-N
XLogP4.54
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(5-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide
CID 107798445
4-bromo-2-cyano-1-(sulfamoylamino)benzene
CID 67402187
4-amino-N-(4-bromo-2-cyanophenyl)-2-fluorobenzenesulfonamide
CID 82692232
4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide
CID 28828912
N-(4-bromo-2-cyanophenyl)-4-cyanobenzenesulfonamide
CID 82694174
N-(2-amino-4-methylphenyl)-4-bromo-2-chlorobenzenesulfonamide
CID 43259134
4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzenesulfonamide
CID 81275585
4-bromo-N-(2-bromo-4-methylphenyl)-2-chlorobenzenesulfonamide
CID 28829084
5-bromo-2-(tert-butylsulfamoylamino)benzonitrile
CID 114808012
2,5-dibromo-N-(2-cyano-4-fluorophenyl)benzenesulfonamide
CID 82684208
N-(4-bromo-2-cyanophenyl)-5-methylthiophene-2-sulfonamide
CID 82708384
2-chloro-N-(2-cyano-4-fluorophenyl)-5-fluorobenzenesulfonamide
CID 115972540

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(4-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide (CID 82695339) is 4-bromo-N-(4-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(4-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(4-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide is N#Cc1cc(Br)ccc1NS(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-N-(4-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide?
The InChIKey is DVUIRZZTNHEEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2ClN2O2S/c14-9-1-3-12(8(5-9)7-17)18-21(19,20)13-4-2-10(15)6-11(13)16/h1-6,18H.
What are the key properties of 4-bromo-N-(4-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide?
4-bromo-N-(4-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide has a molecular weight of 450.54 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide is sourced from PubChem (CID 82695339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).