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

C12H7Br2ClFNO2S — CID 107629929

IUPAC4-bromo-N-(2-bromo-5-fluorophenyl)-2-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)ccc1Br)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H7Br2ClFNO2S/c13-7-1-4-12(10(15)5-7)20(18,19)17-11-6-8(16)2-3-9(11)14/h1-6,17H
InChIKeyTWTCNTSTKRGXCL-UHFFFAOYSA-N
MW443.52 g/mol
LogP4.80
Rot. Bonds3

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

4-bromo-N-(2-bromo-5-fluorophenyl)-2-chlorobenzenesulfonamide (PubChem CID 107629929) has the molecular formula C12H7Br2ClFNO2S and a molecular weight of 443.52 g/mol. Its IUPAC name is 4-bromo-N-(2-bromo-5-fluorophenyl)-2-chlorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-bromo-5-fluorophenyl)-2-chlorobenzenesulfonamide
PubChem CID107629929
Molecular FormulaC12H7Br2ClFNO2S
Molecular Weight443.52 g/mol
Exact Mass440.82
IUPAC Name4-bromo-N-(2-bromo-5-fluorophenyl)-2-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)ccc1Br)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H7Br2ClFNO2S/c13-7-1-4-12(10(15)5-7)20(18,19)17-11-6-8(16)2-3-9(11)14/h1-6,17H
InChIKeyTWTCNTSTKRGXCL-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

4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzenesulfonamide
CID 81275585
N-(2-bromo-5-fluorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 107640855
N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 103752869
4-bromo-2-chloro-N-(3,5-dichloro-4-fluorophenyl)benzenesulfonamide
CID 107577552
4-bromo-2-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 26979434
4-bromo-N-(2-bromo-6-fluorophenyl)-2-chlorobenzenesulfonamide
CID 103822964
4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide
CID 28828912
4-bromo-N-(2,5-difluorophenyl)-2-fluorobenzenesulfonamide
CID 97455684
4-bromo-N-(2-bromo-4-methylphenyl)-2-chlorobenzenesulfonamide
CID 28829084
2-bromo-N-(4-bromo-2-fluorophenyl)-4-fluorobenzenesulfonamide
CID 47257455
N-(5-bromo-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610711
N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400255

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-bromo-5-fluorophenyl)-2-chlorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-bromo-5-fluorophenyl)-2-chlorobenzenesulfonamide (CID 107629929) is 4-bromo-N-(2-bromo-5-fluorophenyl)-2-chlorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-bromo-5-fluorophenyl)-2-chlorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-bromo-5-fluorophenyl)-2-chlorobenzenesulfonamide is O=S(=O)(Nc1cc(F)ccc1Br)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-N-(2-bromo-5-fluorophenyl)-2-chlorobenzenesulfonamide?
The InChIKey is TWTCNTSTKRGXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2ClFNO2S/c13-7-1-4-12(10(15)5-7)20(18,19)17-11-6-8(16)2-3-9(11)14/h1-6,17H.
What are the key properties of 4-bromo-N-(2-bromo-5-fluorophenyl)-2-chlorobenzenesulfonamide?
4-bromo-N-(2-bromo-5-fluorophenyl)-2-chlorobenzenesulfonamide 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-5-fluorophenyl)-2-chlorobenzenesulfonamide is sourced from PubChem (CID 107629929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).