3-bromo-4-chloro-N-(5-chloro-2-cyanophenyl)benzenesulfonamide

C13H7BrCl2N2O2S — CID 106605832

IUPAC3-bromo-4-chloro-N-(5-chloro-2-cyanophenyl)benzenesulfonamide
SMILESN#Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H7BrCl2N2O2S/c14-11-6-10(3-4-12(11)16)21(19,20)18-13-5-9(15)2-1-8(13)7-17/h1-6,18H
InChIKeyODKWNVDDSPOZHU-UHFFFAOYSA-N
MW406.09 g/mol
LogP4.43
Rot. Bonds3

About 3-bromo-4-chloro-N-(5-chloro-2-cyanophenyl)benzenesulfonamide

3-bromo-4-chloro-N-(5-chloro-2-cyanophenyl)benzenesulfonamide (PubChem CID 106605832) has the molecular formula C13H7BrCl2N2O2S and a molecular weight of 406.09 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(5-chloro-2-cyanophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(5-chloro-2-cyanophenyl)benzenesulfonamide
PubChem CID106605832
Molecular FormulaC13H7BrCl2N2O2S
Molecular Weight406.09 g/mol
Exact Mass403.88
IUPAC Name3-bromo-4-chloro-N-(5-chloro-2-cyanophenyl)benzenesulfonamide
SMILESN#Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H7BrCl2N2O2S/c14-11-6-10(3-4-12(11)16)21(19,20)18-13-5-9(15)2-1-8(13)7-17/h1-6,18H
InChIKeyODKWNVDDSPOZHU-UHFFFAOYSA-N
XLogP4.43
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.09
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(5-bromo-2-cyanophenyl)-4-chlorobenzenesulfonamide
CID 107798442
N-(2-bromo-4-chlorophenyl)-3-chloro-4-cyanobenzenesulfonamide
CID 115701867
2-amino-N-(5-chloro-2-cyanophenyl)pyridine-4-sulfonamide
CID 64920454
3-bromo-4-chloro-N-(4-cyano-2-fluorophenyl)benzenesulfonamide
CID 106605845
5-bromo-4-chloro-N-(5-chloro-2-cyanophenyl)thiophene-2-sulfonamide
CID 80577587
N-(5-bromo-2-cyanophenyl)-3,5-dichlorobenzenesulfonamide
CID 107798417
N-[4-[(5-chloro-2-cyanophenyl)sulfamoyl]phenyl]acetamide
CID 154297068
3-cyano-N-(2,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 63235815
4-amino-3-bromo-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 62057861
4-bromo-N-(2,5-dichlorophenyl)-3-fluorobenzenesulfonamide
CID 97161953
3-chloro-4-cyano-N-(2,5-difluorophenyl)benzenesulfonamide
CID 115588628
N-(5-bromo-2-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 104878072

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(5-chloro-2-cyanophenyl)benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-(5-chloro-2-cyanophenyl)benzenesulfonamide (CID 106605832) is 3-bromo-4-chloro-N-(5-chloro-2-cyanophenyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(5-chloro-2-cyanophenyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-(5-chloro-2-cyanophenyl)benzenesulfonamide is N#Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(5-chloro-2-cyanophenyl)benzenesulfonamide?
The InChIKey is ODKWNVDDSPOZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2N2O2S/c14-11-6-10(3-4-12(11)16)21(19,20)18-13-5-9(15)2-1-8(13)7-17/h1-6,18H.
What are the key properties of 3-bromo-4-chloro-N-(5-chloro-2-cyanophenyl)benzenesulfonamide?
3-bromo-4-chloro-N-(5-chloro-2-cyanophenyl)benzenesulfonamide has a molecular weight of 406.09 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(5-chloro-2-cyanophenyl)benzenesulfonamide is sourced from PubChem (CID 106605832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).