4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzenesulfonamide

C12H7Br2Cl2NO2S — CID 81275585

IUPAC4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1Br)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H7Br2Cl2NO2S/c13-7-1-4-12(10(16)5-7)20(18,19)17-11-6-8(15)2-3-9(11)14/h1-6,17H
InChIKeyVDCAFPFEYDCSMG-UHFFFAOYSA-N
MW459.97 g/mol
LogP5.32
Rot. Bonds3

About 4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzenesulfonamide

4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzenesulfonamide (PubChem CID 81275585) has the molecular formula C12H7Br2Cl2NO2S and a molecular weight of 459.97 g/mol. Its IUPAC name is 4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzenesulfonamide
PubChem CID81275585
Molecular FormulaC12H7Br2Cl2NO2S
Molecular Weight459.97 g/mol
Exact Mass456.79
IUPAC Name4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1Br)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H7Br2Cl2NO2S/c13-7-1-4-12(10(16)5-7)20(18,19)17-11-6-8(15)2-3-9(11)14/h1-6,17H
InChIKeyVDCAFPFEYDCSMG-UHFFFAOYSA-N
XLogP5.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.97
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2-bromo-5-fluorophenyl)-2-chlorobenzenesulfonamide
CID 107629929
2-amino-5-bromo-N-(2-bromo-5-chlorophenyl)benzenesulfonamide
CID 81262723
4-bromo-N-(5-chloro-2-fluorophenyl)-2-fluorobenzenesulfonamide
CID 116528139
4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide
CID 28828912
4-bromo-N-(2-bromo-4-methylphenyl)-2-chlorobenzenesulfonamide
CID 28829084
2,4-dichloro-N-[2-[(2,4-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 70137943
4-bromo-2-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 26979434
4-bromo-N-(2-bromo-6-fluorophenyl)-2-chlorobenzenesulfonamide
CID 103822964
2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzenesulfonamide
CID 81262415
4-bromo-N-(5-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide
CID 107798445
5-amino-N-(2-bromo-5-chlorophenyl)-2-fluorobenzenesulfonamide
CID 81262650
4-bromo-N-(4-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide
CID 82695339

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzenesulfonamide (CID 81275585) is 4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzenesulfonamide is O=S(=O)(Nc1cc(Cl)ccc1Br)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzenesulfonamide?
The InChIKey is VDCAFPFEYDCSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2Cl2NO2S/c13-7-1-4-12(10(16)5-7)20(18,19)17-11-6-8(15)2-3-9(11)14/h1-6,17H.
What are the key properties of 4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzenesulfonamide?
4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzenesulfonamide has a molecular weight of 459.97 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzenesulfonamide is sourced from PubChem (CID 81275585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).