4-bromo-N-(2,5-dichlorophenyl)-3-fluorobenzenesulfonamide

C12H7BrCl2FNO2S — CID 97161953

IUPAC4-bromo-N-(2,5-dichlorophenyl)-3-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H7BrCl2FNO2S/c13-9-3-2-8(6-11(9)16)20(18,19)17-12-5-7(14)1-4-10(12)15/h1-6,17H
InChIKeyWZCJPAINTBXJJA-UHFFFAOYSA-N
MW399.07 g/mol
LogP4.70
Rot. Bonds3

About 4-bromo-N-(2,5-dichlorophenyl)-3-fluorobenzenesulfonamide

4-bromo-N-(2,5-dichlorophenyl)-3-fluorobenzenesulfonamide (PubChem CID 97161953) has the molecular formula C12H7BrCl2FNO2S and a molecular weight of 399.07 g/mol. Its IUPAC name is 4-bromo-N-(2,5-dichlorophenyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2,5-dichlorophenyl)-3-fluorobenzenesulfonamide
PubChem CID97161953
Molecular FormulaC12H7BrCl2FNO2S
Molecular Weight399.07 g/mol
Exact Mass396.87
IUPAC Name4-bromo-N-(2,5-dichlorophenyl)-3-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H7BrCl2FNO2S/c13-9-3-2-8(6-11(9)16)20(18,19)17-12-5-7(14)1-4-10(12)15/h1-6,17H
InChIKeyWZCJPAINTBXJJA-UHFFFAOYSA-N
XLogP4.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.07
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2-chloro-5-methoxyphenyl)-3-fluorobenzenesulfonamide
CID 103710408
4-bromo-N-(4-chloro-2-methylphenyl)-3-fluorobenzenesulfonamide
CID 97161969
4-amino-3-bromo-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 62057861
N-(2,5-dichlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109274
3-amino-N-(2-bromo-5-chlorophenyl)-4-fluorobenzenesulfonamide
CID 81262729
4-amino-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 28590083
4-bromo-N-(2-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 103709774
N-(2-amino-5-chlorophenyl)-3,4-difluorobenzenesulfonamide
CID 43343902
3-bromo-4-chloro-N-(5-chloro-2-cyanophenyl)benzenesulfonamide
CID 106605832
N-(2,5-dichlorophenyl)-4-(methylamino)benzenesulfonamide
CID 43332038
4-amino-N-(2-bromo-5-chlorophenyl)benzenesulfonamide
CID 81263027
4-bromo-3-fluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 97161961

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,5-dichlorophenyl)-3-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(2,5-dichlorophenyl)-3-fluorobenzenesulfonamide (CID 97161953) is 4-bromo-N-(2,5-dichlorophenyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2,5-dichlorophenyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2,5-dichlorophenyl)-3-fluorobenzenesulfonamide is O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-(2,5-dichlorophenyl)-3-fluorobenzenesulfonamide?
The InChIKey is WZCJPAINTBXJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2FNO2S/c13-9-3-2-8(6-11(9)16)20(18,19)17-12-5-7(14)1-4-10(12)15/h1-6,17H.
What are the key properties of 4-bromo-N-(2,5-dichlorophenyl)-3-fluorobenzenesulfonamide?
4-bromo-N-(2,5-dichlorophenyl)-3-fluorobenzenesulfonamide has a molecular weight of 399.07 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,5-dichlorophenyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 97161953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).