4-bromo-N-(2-bromo-3-chlorophenyl)-2-fluorobenzenesulfonamide

C12H7Br2ClFNO2S — CID 103480213

IUPAC4-bromo-N-(2-bromo-3-chlorophenyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1Br)c1ccc(Br)cc1F
InChIInChI=1S/C12H7Br2ClFNO2S/c13-7-4-5-11(9(16)6-7)20(18,19)17-10-3-1-2-8(15)12(10)14/h1-6,17H
InChIKeyXPODYMZTNUXOKM-UHFFFAOYSA-N
MW443.52 g/mol
LogP4.80
Rot. Bonds3

About 4-bromo-N-(2-bromo-3-chlorophenyl)-2-fluorobenzenesulfonamide

4-bromo-N-(2-bromo-3-chlorophenyl)-2-fluorobenzenesulfonamide (PubChem CID 103480213) has the molecular formula C12H7Br2ClFNO2S and a molecular weight of 443.52 g/mol. Its IUPAC name is 4-bromo-N-(2-bromo-3-chlorophenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-bromo-3-chlorophenyl)-2-fluorobenzenesulfonamide
PubChem CID103480213
Molecular FormulaC12H7Br2ClFNO2S
Molecular Weight443.52 g/mol
Exact Mass440.82
IUPAC Name4-bromo-N-(2-bromo-3-chlorophenyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1Br)c1ccc(Br)cc1F
InChIInChI=1S/C12H7Br2ClFNO2S/c13-7-4-5-11(9(16)6-7)20(18,19)17-10-3-1-2-8(15)12(10)14/h1-6,17H
InChIKeyXPODYMZTNUXOKM-UHFFFAOYSA-N
XLogP4.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-3-chlorophenyl)-2,4-difluorobenzenesulfonamide
CID 103480186
2-amino-4-bromo-N-(2-bromo-3-chlorophenyl)benzenesulfonamide
CID 103477338
4-bromo-N-(5-chloro-2-fluorophenyl)-2-fluorobenzenesulfonamide
CID 116528139
4-bromo-N-(2-bromophenyl)-2-fluorobenzenesulfonamide
CID 97455644
4-bromo-N-(2,6-difluorophenyl)-2-fluorobenzenesulfonamide
CID 116528169
5-amino-N-(2-bromo-3-chlorophenyl)-3-chloro-2-fluorobenzenesulfonamide
CID 103477337
2-bromo-N-(2-bromo-3-chlorophenyl)-4,6-difluorobenzenesulfonamide
CID 103481212
2-bromo-3-chloro-N-(2,3-difluorophenyl)benzenesulfonamide
CID 154840283
4-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-2-fluorobenzenesulfonamide
CID 116527677
4-bromo-2-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 53240323
2,4-dibromo-N-(2,3-dichlorophenyl)benzenesulfonamide
CID 60823150
N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 8500760

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-bromo-3-chlorophenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-bromo-3-chlorophenyl)-2-fluorobenzenesulfonamide (CID 103480213) is 4-bromo-N-(2-bromo-3-chlorophenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-bromo-3-chlorophenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-bromo-3-chlorophenyl)-2-fluorobenzenesulfonamide is O=S(=O)(Nc1cccc(Cl)c1Br)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-(2-bromo-3-chlorophenyl)-2-fluorobenzenesulfonamide?
The InChIKey is XPODYMZTNUXOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2ClFNO2S/c13-7-4-5-11(9(16)6-7)20(18,19)17-10-3-1-2-8(15)12(10)14/h1-6,17H.
What are the key properties of 4-bromo-N-(2-bromo-3-chlorophenyl)-2-fluorobenzenesulfonamide?
4-bromo-N-(2-bromo-3-chlorophenyl)-2-fluorobenzenesulfonamide has a molecular weight of 443.52 g/mol, XLogP of 4.80, 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-3-chlorophenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 103480213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).