N-(5-bromo-2-cyanophenyl)-3,5-dichlorobenzenesulfonamide

C13H7BrCl2N2O2S — CID 107798417

IUPACN-(5-bromo-2-cyanophenyl)-3,5-dichlorobenzenesulfonamide
SMILESN#Cc1ccc(Br)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H7BrCl2N2O2S/c14-9-2-1-8(7-17)13(3-9)18-21(19,20)12-5-10(15)4-11(16)6-12/h1-6,18H
InChIKeyVIXROVOMTFZTJZ-UHFFFAOYSA-N
MW406.09 g/mol
LogP4.43
Rot. Bonds3

About N-(5-bromo-2-cyanophenyl)-3,5-dichlorobenzenesulfonamide

N-(5-bromo-2-cyanophenyl)-3,5-dichlorobenzenesulfonamide (PubChem CID 107798417) has the molecular formula C13H7BrCl2N2O2S and a molecular weight of 406.09 g/mol. Its IUPAC name is N-(5-bromo-2-cyanophenyl)-3,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-cyanophenyl)-3,5-dichlorobenzenesulfonamide
PubChem CID107798417
Molecular FormulaC13H7BrCl2N2O2S
Molecular Weight406.09 g/mol
Exact Mass403.88
IUPAC NameN-(5-bromo-2-cyanophenyl)-3,5-dichlorobenzenesulfonamide
SMILESN#Cc1ccc(Br)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H7BrCl2N2O2S/c14-9-2-1-8(7-17)13(3-9)18-21(19,20)12-5-10(15)4-11(16)6-12/h1-6,18H
InChIKeyVIXROVOMTFZTJZ-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
4-bromo-N-(5-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide
CID 107798445
6-amino-N-(5-bromo-2-cyanophenyl)-5-chloropyridine-3-sulfonamide
CID 107801188
N-(5-bromo-2-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 104878072
3-bromo-4-chloro-N-(5-chloro-2-cyanophenyl)benzenesulfonamide
CID 106605832
N-(4-bromo-2-fluorophenyl)-3,5-dichlorobenzenesulfonamide
CID 28829056
4-bromo-1-cyano-2-(dimethylsulfamoylamino)benzene
CID 107798443
N-(5-bromo-2-methylphenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106831795
N-(4-bromo-2-chlorophenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106831780
N-(2-bromo-4-chlorophenyl)-3-chloro-4-cyanobenzenesulfonamide
CID 115701867
4-bromo-2-(4-chloroanilino)benzonitrile
CID 114901338
N-(4-bromo-2-cyanophenyl)-4-cyanobenzenesulfonamide
CID 82694174

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-cyanophenyl)-3,5-dichlorobenzenesulfonamide?
The IUPAC name of N-(5-bromo-2-cyanophenyl)-3,5-dichlorobenzenesulfonamide (CID 107798417) is N-(5-bromo-2-cyanophenyl)-3,5-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-2-cyanophenyl)-3,5-dichlorobenzenesulfonamide?
The canonical SMILES for N-(5-bromo-2-cyanophenyl)-3,5-dichlorobenzenesulfonamide is N#Cc1ccc(Br)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(5-bromo-2-cyanophenyl)-3,5-dichlorobenzenesulfonamide?
The InChIKey is VIXROVOMTFZTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2N2O2S/c14-9-2-1-8(7-17)13(3-9)18-21(19,20)12-5-10(15)4-11(16)6-12/h1-6,18H.
What are the key properties of N-(5-bromo-2-cyanophenyl)-3,5-dichlorobenzenesulfonamide?
N-(5-bromo-2-cyanophenyl)-3,5-dichlorobenzenesulfonamide 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-(5-bromo-2-cyanophenyl)-3,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 107798417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).