N-(2-bromo-4-chlorophenyl)-2,5-dichlorobenzenesulfonamide

C12H7BrCl3NO2S — CID 81273911

IUPACN-(2-bromo-4-chlorophenyl)-2,5-dichlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1Br)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H7BrCl3NO2S/c13-9-5-7(14)2-4-11(9)17-20(18,19)12-6-8(15)1-3-10(12)16/h1-6,17H
InChIKeyNADVIMYLDBMSJK-UHFFFAOYSA-N
MW415.52 g/mol
LogP5.21
Rot. Bonds3

About N-(2-bromo-4-chlorophenyl)-2,5-dichlorobenzenesulfonamide

N-(2-bromo-4-chlorophenyl)-2,5-dichlorobenzenesulfonamide (PubChem CID 81273911) has the molecular formula C12H7BrCl3NO2S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-(2-bromo-4-chlorophenyl)-2,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-chlorophenyl)-2,5-dichlorobenzenesulfonamide
PubChem CID81273911
Molecular FormulaC12H7BrCl3NO2S
Molecular Weight415.52 g/mol
Exact Mass412.84
IUPAC NameN-(2-bromo-4-chlorophenyl)-2,5-dichlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1Br)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H7BrCl3NO2S/c13-9-5-7(14)2-4-11(9)17-20(18,19)12-6-8(15)1-3-10(12)16/h1-6,17H
InChIKeyNADVIMYLDBMSJK-UHFFFAOYSA-N
XLogP5.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-bromo-4-chlorophenyl)-2,5-dichlorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromo-4-fluorophenyl)-2,5-dichlorobenzenesulfonamide
CID 3701608
2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzenesulfonamide
CID 81262415
2,5-dibromo-N-(2-bromo-4-chlorophenyl)-4-methylbenzenesulfonamide
CID 81319576
2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide
CID 3702583
2,5-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969901
2,5-dichloro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide
CID 3776301
N-(4-amino-2-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399526
2-amino-N-(2-bromo-4-fluorophenyl)-5-chlorobenzenesulfonamide
CID 60986083
5-amino-N-(2-bromo-4-chlorophenyl)-2-fluoro-4-methylbenzenesulfonamide
CID 81252515
N-(2-aminophenyl)-2,5-dichlorobenzenesulfonamide
CID 43344025
2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
CID 121010955
N-(2-amino-4,6-dibromophenyl)-2,5-dichlorobenzenesulfonamide
CID 43550659

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chlorophenyl)-2,5-dichlorobenzenesulfonamide?
The IUPAC name of N-(2-bromo-4-chlorophenyl)-2,5-dichlorobenzenesulfonamide (CID 81273911) is N-(2-bromo-4-chlorophenyl)-2,5-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-4-chlorophenyl)-2,5-dichlorobenzenesulfonamide?
The canonical SMILES for N-(2-bromo-4-chlorophenyl)-2,5-dichlorobenzenesulfonamide is O=S(=O)(Nc1ccc(Cl)cc1Br)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2-bromo-4-chlorophenyl)-2,5-dichlorobenzenesulfonamide?
The InChIKey is NADVIMYLDBMSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl3NO2S/c13-9-5-7(14)2-4-11(9)17-20(18,19)12-6-8(15)1-3-10(12)16/h1-6,17H.
What are the key properties of N-(2-bromo-4-chlorophenyl)-2,5-dichlorobenzenesulfonamide?
N-(2-bromo-4-chlorophenyl)-2,5-dichlorobenzenesulfonamide has a molecular weight of 415.52 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-chlorophenyl)-2,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 81273911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).