3-bromo-N-(5-bromo-2-cyanophenyl)-4-chlorobenzenesulfonamide

C13H7Br2ClN2O2S — CID 107798442

IUPAC3-bromo-N-(5-bromo-2-cyanophenyl)-4-chlorobenzenesulfonamide
SMILESN#Cc1ccc(Br)cc1NS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H7Br2ClN2O2S/c14-9-2-1-8(7-17)13(5-9)18-21(19,20)10-3-4-12(16)11(15)6-10/h1-6,18H
InChIKeyXQOIORBCRXDPNZ-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.54
Rot. Bonds3

About 3-bromo-N-(5-bromo-2-cyanophenyl)-4-chlorobenzenesulfonamide

3-bromo-N-(5-bromo-2-cyanophenyl)-4-chlorobenzenesulfonamide (PubChem CID 107798442) has the molecular formula C13H7Br2ClN2O2S and a molecular weight of 450.54 g/mol. Its IUPAC name is 3-bromo-N-(5-bromo-2-cyanophenyl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(5-bromo-2-cyanophenyl)-4-chlorobenzenesulfonamide
PubChem CID107798442
Molecular FormulaC13H7Br2ClN2O2S
Molecular Weight450.54 g/mol
Exact Mass447.83
IUPAC Name3-bromo-N-(5-bromo-2-cyanophenyl)-4-chlorobenzenesulfonamide
SMILESN#Cc1ccc(Br)cc1NS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H7Br2ClN2O2S/c14-9-2-1-8(7-17)13(5-9)18-21(19,20)10-3-4-12(16)11(15)6-10/h1-6,18H
InChIKeyXQOIORBCRXDPNZ-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

3-bromo-4-chloro-N-(5-chloro-2-cyanophenyl)benzenesulfonamide
CID 106605832
N-(5-bromo-2-cyanophenyl)-3,5-dichlorobenzenesulfonamide
CID 107798417
N-(5-bromo-2-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 104878072
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-(4-bromo-2-chlorophenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106831780
N-(2-bromo-4-chlorophenyl)-3-chloro-4-cyanobenzenesulfonamide
CID 115701867
N-(5-bromo-2-methylphenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106831795
3-bromo-4-chloro-N-(4-cyano-2-fluorophenyl)benzenesulfonamide
CID 106605845
3-amino-4-bromo-N-(4-bromo-2-cyanophenyl)benzenesulfonamide
CID 82693272
4-bromo-2-[(3-bromo-4-chlorophenyl)methylamino]benzonitrile
CID 107797752
N-(5-bromo-2-chlorophenyl)-4-nitrobenzenesulfonamide
CID 62907756

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-bromo-2-cyanophenyl)-4-chlorobenzenesulfonamide?
The IUPAC name of 3-bromo-N-(5-bromo-2-cyanophenyl)-4-chlorobenzenesulfonamide (CID 107798442) is 3-bromo-N-(5-bromo-2-cyanophenyl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(5-bromo-2-cyanophenyl)-4-chlorobenzenesulfonamide?
The canonical SMILES for 3-bromo-N-(5-bromo-2-cyanophenyl)-4-chlorobenzenesulfonamide is N#Cc1ccc(Br)cc1NS(=O)(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-N-(5-bromo-2-cyanophenyl)-4-chlorobenzenesulfonamide?
The InChIKey is XQOIORBCRXDPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2ClN2O2S/c14-9-2-1-8(7-17)13(5-9)18-21(19,20)10-3-4-12(16)11(15)6-10/h1-6,18H.
What are the key properties of 3-bromo-N-(5-bromo-2-cyanophenyl)-4-chlorobenzenesulfonamide?
3-bromo-N-(5-bromo-2-cyanophenyl)-4-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 3-bromo-N-(5-bromo-2-cyanophenyl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 107798442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).