3-bromo-4-chloro-N-(4-cyano-2-fluorophenyl)benzenesulfonamide

C13H7BrClFN2O2S — CID 106605845

IUPAC3-bromo-4-chloro-N-(4-cyano-2-fluorophenyl)benzenesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Br)c2)c(F)c1
InChIInChI=1S/C13H7BrClFN2O2S/c14-10-6-9(2-3-11(10)15)21(19,20)18-13-4-1-8(7-17)5-12(13)16/h1-6,18H
InChIKeyRYOOAEKYGJUAIQ-UHFFFAOYSA-N
MW389.63 g/mol
LogP3.91
Rot. Bonds3

About 3-bromo-4-chloro-N-(4-cyano-2-fluorophenyl)benzenesulfonamide

3-bromo-4-chloro-N-(4-cyano-2-fluorophenyl)benzenesulfonamide (PubChem CID 106605845) has the molecular formula C13H7BrClFN2O2S and a molecular weight of 389.63 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(4-cyano-2-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(4-cyano-2-fluorophenyl)benzenesulfonamide
PubChem CID106605845
Molecular FormulaC13H7BrClFN2O2S
Molecular Weight389.63 g/mol
Exact Mass387.91
IUPAC Name3-bromo-4-chloro-N-(4-cyano-2-fluorophenyl)benzenesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Br)c2)c(F)c1
InChIInChI=1S/C13H7BrClFN2O2S/c14-10-6-9(2-3-11(10)15)21(19,20)18-13-4-1-8(7-17)5-12(13)16/h1-6,18H
InChIKeyRYOOAEKYGJUAIQ-UHFFFAOYSA-N
XLogP3.91
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.63
LogP ≤ 53.91
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-bromo-4-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide
CID 106612798
N-(5-amino-2,4-difluorophenyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106605012
3-bromo-N-(5-bromo-2-cyanophenyl)-4-chlorobenzenesulfonamide
CID 107798442
N-(2-amino-4-cyanophenyl)-3,4-dichlorobenzenesulfonamide
CID 78965173
N-(2-bromo-4-fluorophenyl)-4-cyanobenzenesulfonamide
CID 3852570
4-amino-N-(2-chloro-4-cyanophenyl)-3-methylbenzenesulfonamide
CID 107806926
4-(5-bromo-2-chloroanilino)-3-fluorobenzonitrile
CID 63511832
N-(2-amino-4-cyanophenyl)-3,4-difluorobenzenesulfonamide
CID 78965177
N-(2-chloro-4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 103791853
N-(4-amino-2-chlorophenyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106604917
N-(2-bromo-4-chlorophenyl)-3-chloro-4-cyanobenzenesulfonamide
CID 115701867

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(4-cyano-2-fluorophenyl)benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-(4-cyano-2-fluorophenyl)benzenesulfonamide (CID 106605845) is 3-bromo-4-chloro-N-(4-cyano-2-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(4-cyano-2-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-(4-cyano-2-fluorophenyl)benzenesulfonamide is N#Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Br)c2)c(F)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(4-cyano-2-fluorophenyl)benzenesulfonamide?
The InChIKey is RYOOAEKYGJUAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClFN2O2S/c14-10-6-9(2-3-11(10)15)21(19,20)18-13-4-1-8(7-17)5-12(13)16/h1-6,18H.
What are the key properties of 3-bromo-4-chloro-N-(4-cyano-2-fluorophenyl)benzenesulfonamide?
3-bromo-4-chloro-N-(4-cyano-2-fluorophenyl)benzenesulfonamide has a molecular weight of 389.63 g/mol, XLogP of 3.91, 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-(4-cyano-2-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 106605845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).