N-(4-bromo-3-fluorophenyl)-3-chlorobenzenesulfonamide

C12H8BrClFNO2S — CID 65430879

IUPACN-(4-bromo-3-fluorophenyl)-3-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)c(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C12H8BrClFNO2S/c13-11-5-4-9(7-12(11)15)16-19(17,18)10-3-1-2-8(14)6-10/h1-7,16H
InChIKeyIUJXCDLLWCSIOV-UHFFFAOYSA-N
MW364.62 g/mol
LogP4.04
Rot. Bonds3

About N-(4-bromo-3-fluorophenyl)-3-chlorobenzenesulfonamide

N-(4-bromo-3-fluorophenyl)-3-chlorobenzenesulfonamide (PubChem CID 65430879) has the molecular formula C12H8BrClFNO2S and a molecular weight of 364.62 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-3-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-3-chlorobenzenesulfonamide
PubChem CID65430879
Molecular FormulaC12H8BrClFNO2S
Molecular Weight364.62 g/mol
Exact Mass362.91
IUPAC NameN-(4-bromo-3-fluorophenyl)-3-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)c(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C12H8BrClFNO2S/c13-11-5-4-9(7-12(11)15)16-19(17,18)10-3-1-2-8(14)6-10/h1-7,16H
InChIKeyIUJXCDLLWCSIOV-UHFFFAOYSA-N
XLogP4.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.62
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[4-(3,4-difluoroanilino)phenyl]benzenesulfonamide
CID 112990324
3-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 889559
3-(1-aminoethyl)-N-(4-bromo-3-fluorophenyl)benzenesulfonamide
CID 65437568
4-bromo-3-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 97161985
N-[3-bromo-4-(4-fluorophenoxy)phenyl]-3-chlorobenzenesulfonamide
CID 11213244
4-bromo-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 97162019
4-amino-N-(4-bromo-3-fluorophenyl)benzenesulfonamide
CID 50998348
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzenesulfonamide
CID 26967322
3-chloro-N-(4-chloro-3-hydroxyphenyl)benzenesulfonamide
CID 64788491
3-bromo-N-(3-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide
CID 106606106
4-bromo-N-(2,5-dichlorophenyl)-3-fluorobenzenesulfonamide
CID 97161953
4-bromo-N-(3,4-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 97161938

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-3-chlorobenzenesulfonamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-3-chlorobenzenesulfonamide (CID 65430879) is N-(4-bromo-3-fluorophenyl)-3-chlorobenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-3-chlorobenzenesulfonamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-3-chlorobenzenesulfonamide is O=S(=O)(Nc1ccc(Br)c(F)c1)c1cccc(Cl)c1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-3-chlorobenzenesulfonamide?
The InChIKey is IUJXCDLLWCSIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFNO2S/c13-11-5-4-9(7-12(11)15)16-19(17,18)10-3-1-2-8(14)6-10/h1-7,16H.
What are the key properties of N-(4-bromo-3-fluorophenyl)-3-chlorobenzenesulfonamide?
N-(4-bromo-3-fluorophenyl)-3-chlorobenzenesulfonamide has a molecular weight of 364.62 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-3-chlorobenzenesulfonamide is sourced from PubChem (CID 65430879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).