4-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide

C12H8Br2ClNO2S — CID 19683886

IUPAC4-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)c(Cl)c1)c1ccc(Br)cc1
InChIInChI=1S/C12H8Br2ClNO2S/c13-8-1-4-10(5-2-8)19(17,18)16-9-3-6-11(14)12(15)7-9/h1-7,16H
InChIKeyAETOASJTIOPZHF-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.67
Rot. Bonds3

About 4-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide

4-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide (PubChem CID 19683886) has the molecular formula C12H8Br2ClNO2S and a molecular weight of 425.53 g/mol. Its IUPAC name is 4-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
PubChem CID19683886
Molecular FormulaC12H8Br2ClNO2S
Molecular Weight425.53 g/mol
Exact Mass422.83
IUPAC Name4-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)c(Cl)c1)c1ccc(Br)cc1
InChIInChI=1S/C12H8Br2ClNO2S/c13-8-1-4-10(5-2-8)19(17,18)16-9-3-6-11(14)12(15)7-9/h1-7,16H
InChIKeyAETOASJTIOPZHF-UHFFFAOYSA-N
XLogP4.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
CID 107618470
4-(1-aminoethyl)-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
CID 107613406
4-bromo-N-[3-chloro-4-(2-hydroxyethyl)phenyl]benzenesulfonamide
CID 86013530
2-amino-N-(4-bromo-3-chlorophenyl)pyrimidine-5-sulfonamide
CID 107616514
N-(4-bromo-3-chlorophenyl)-3-nitrobenzenesulfonamide
CID 2962820
N-(4-bromophenyl)-4-chloro-3-methylbenzenesulfonamide
CID 7718536
N-(4-bromo-3-chlorophenyl)-3-cyanobenzenesulfonamide
CID 103822995
N-(4-bromophenyl)-4-iodobenzenesulfonamide
CID 990484
N-(4-bromo-3-chlorophenyl)thiophene-2-sulfonamide
CID 2207523
5-bromo-N-(4-bromo-3-chlorophenyl)-4-methylthiophene-2-sulfonamide
CID 107612767
4-bromo-N-(4-hydroxyphenyl)benzenesulfonamide
CID 875203
N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 711099

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide (CID 19683886) is 4-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(Br)c(Cl)c1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide?
The InChIKey is AETOASJTIOPZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2ClNO2S/c13-8-1-4-10(5-2-8)19(17,18)16-9-3-6-11(14)12(15)7-9/h1-7,16H.
What are the key properties of 4-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide?
4-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide has a molecular weight of 425.53 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide is sourced from PubChem (CID 19683886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).