N-(2-bromo-4-chlorophenyl)-3-chloro-4-cyanobenzenesulfonamide

C13H7BrCl2N2O2S — CID 115701867

IUPACN-(2-bromo-4-chlorophenyl)-3-chloro-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Br)cc1Cl
InChIInChI=1S/C13H7BrCl2N2O2S/c14-11-5-9(15)2-4-13(11)18-21(19,20)10-3-1-8(7-17)12(16)6-10/h1-6,18H
InChIKeyNSDXHRCVACKKMK-UHFFFAOYSA-N
MW406.09 g/mol
LogP4.43
Rot. Bonds3

About N-(2-bromo-4-chlorophenyl)-3-chloro-4-cyanobenzenesulfonamide

N-(2-bromo-4-chlorophenyl)-3-chloro-4-cyanobenzenesulfonamide (PubChem CID 115701867) has the molecular formula C13H7BrCl2N2O2S and a molecular weight of 406.09 g/mol. Its IUPAC name is N-(2-bromo-4-chlorophenyl)-3-chloro-4-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-chlorophenyl)-3-chloro-4-cyanobenzenesulfonamide
PubChem CID115701867
Molecular FormulaC13H7BrCl2N2O2S
Molecular Weight406.09 g/mol
Exact Mass403.88
IUPAC NameN-(2-bromo-4-chlorophenyl)-3-chloro-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Br)cc1Cl
InChIInChI=1S/C13H7BrCl2N2O2S/c14-11-5-9(15)2-4-13(11)18-21(19,20)10-3-1-8(7-17)12(16)6-10/h1-6,18H
InChIKeyNSDXHRCVACKKMK-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-4-chloro-N-(5-chloro-2-cyanophenyl)benzenesulfonamide
CID 106605832
3-chloro-4-cyano-N-(2,5-difluorophenyl)benzenesulfonamide
CID 115588628
3-chloro-N-(2-chlorophenyl)-4-cyanobenzenesulfonamide
CID 47309083
3-chloro-N-(2-chloro-4-methylphenyl)-4-cyanobenzenesulfonamide
CID 115588624
3-chloro-4-cyano-N-(2-fluorophenyl)benzenesulfonamide
CID 47309192
3-cyano-N-(2,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 63235815
3-bromo-N-(5-bromo-2-cyanophenyl)-4-chlorobenzenesulfonamide
CID 107798442
3-chloro-4-cyano-N-(2,6-dimethyl-3-pyridinyl)benzenesulfonamide
CID 115687718
3-chloro-N-(5-chloro-2-pyridinyl)-4-cyanobenzenesulfonamide
CID 115619551
3-chloro-N-(4-chloro-3-pyridinyl)-4-cyanobenzenesulfonamide
CID 103745721
N-(4-bromo-2-chlorophenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106831780
3-chloro-4-cyano-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 115588612

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chlorophenyl)-3-chloro-4-cyanobenzenesulfonamide?
The IUPAC name of N-(2-bromo-4-chlorophenyl)-3-chloro-4-cyanobenzenesulfonamide (CID 115701867) is N-(2-bromo-4-chlorophenyl)-3-chloro-4-cyanobenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-4-chlorophenyl)-3-chloro-4-cyanobenzenesulfonamide?
The canonical SMILES for N-(2-bromo-4-chlorophenyl)-3-chloro-4-cyanobenzenesulfonamide is N#Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Br)cc1Cl.
What is the InChIKey of N-(2-bromo-4-chlorophenyl)-3-chloro-4-cyanobenzenesulfonamide?
The InChIKey is NSDXHRCVACKKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2N2O2S/c14-11-5-9(15)2-4-13(11)18-21(19,20)10-3-1-8(7-17)12(16)6-10/h1-6,18H.
What are the key properties of N-(2-bromo-4-chlorophenyl)-3-chloro-4-cyanobenzenesulfonamide?
N-(2-bromo-4-chlorophenyl)-3-chloro-4-cyanobenzenesulfonamide 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 N-(2-bromo-4-chlorophenyl)-3-chloro-4-cyanobenzenesulfonamide is sourced from PubChem (CID 115701867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).