N-(4-bromo-3-fluorophenyl)-3,4-dichlorobenzenesulfonamide

C12H7BrCl2FNO2S — CID 3723732

IUPACN-(4-bromo-3-fluorophenyl)-3,4-dichlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)c(F)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H7BrCl2FNO2S/c13-9-3-1-7(5-12(9)16)17-20(18,19)8-2-4-10(14)11(15)6-8/h1-6,17H
InChIKeyYJZSSNFXKNGKLQ-UHFFFAOYSA-N
MW399.07 g/mol
LogP4.70
Rot. Bonds3

About N-(4-bromo-3-fluorophenyl)-3,4-dichlorobenzenesulfonamide

N-(4-bromo-3-fluorophenyl)-3,4-dichlorobenzenesulfonamide (PubChem CID 3723732) has the molecular formula C12H7BrCl2FNO2S and a molecular weight of 399.07 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-3,4-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-3,4-dichlorobenzenesulfonamide
PubChem CID3723732
Molecular FormulaC12H7BrCl2FNO2S
Molecular Weight399.07 g/mol
Exact Mass396.87
IUPAC NameN-(4-bromo-3-fluorophenyl)-3,4-dichlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)c(F)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H7BrCl2FNO2S/c13-9-3-1-7(5-12(9)16)17-20(18,19)8-2-4-10(14)11(15)6-8/h1-6,17H
InChIKeyYJZSSNFXKNGKLQ-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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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-3,4-dichlorobenzenesulfonamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-3,4-dichlorobenzenesulfonamide (CID 3723732) is N-(4-bromo-3-fluorophenyl)-3,4-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-3,4-dichlorobenzenesulfonamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-3,4-dichlorobenzenesulfonamide is O=S(=O)(Nc1ccc(Br)c(F)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-3,4-dichlorobenzenesulfonamide?
The InChIKey is YJZSSNFXKNGKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2FNO2S/c13-9-3-1-7(5-12(9)16)17-20(18,19)8-2-4-10(14)11(15)6-8/h1-6,17H.
What are the key properties of N-(4-bromo-3-fluorophenyl)-3,4-dichlorobenzenesulfonamide?
N-(4-bromo-3-fluorophenyl)-3,4-dichlorobenzenesulfonamide 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 N-(4-bromo-3-fluorophenyl)-3,4-dichlorobenzenesulfonamide is sourced from PubChem (CID 3723732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).