2-bromo-4-fluoro-N-(4-methylphenyl)benzenesulfonamide

C13H11BrFNO2S — CID 47203934

IUPAC2-bromo-4-fluoro-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(F)cc2Br)cc1
InChIInChI=1S/C13H11BrFNO2S/c1-9-2-5-11(6-3-9)16-19(17,18)13-7-4-10(15)8-12(13)14/h2-8,16H,1H3
InChIKeyBLXYZWRZYZGCIP-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.70
Rot. Bonds3

About 2-bromo-4-fluoro-N-(4-methylphenyl)benzenesulfonamide

2-bromo-4-fluoro-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 47203934) has the molecular formula C13H11BrFNO2S and a molecular weight of 344.21 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(4-methylphenyl)benzenesulfonamide
PubChem CID47203934
Molecular FormulaC13H11BrFNO2S
Molecular Weight344.21 g/mol
Exact Mass342.97
IUPAC Name2-bromo-4-fluoro-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(F)cc2Br)cc1
InChIInChI=1S/C13H11BrFNO2S/c1-9-2-5-11(6-3-9)16-19(17,18)13-7-4-10(15)8-12(13)14/h2-8,16H,1H3
InChIKeyBLXYZWRZYZGCIP-UHFFFAOYSA-N
XLogP3.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-(4-methylphenyl)benzenesulfonamide (CID 47203934) is 2-bromo-4-fluoro-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(F)cc2Br)cc1.
What is the InChIKey of 2-bromo-4-fluoro-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is BLXYZWRZYZGCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO2S/c1-9-2-5-11(6-3-9)16-19(17,18)13-7-4-10(15)8-12(13)14/h2-8,16H,1H3.
What are the key properties of 2-bromo-4-fluoro-N-(4-methylphenyl)benzenesulfonamide?
2-bromo-4-fluoro-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 344.21 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 47203934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).