4-bromo-N-(2-fluorophenyl)benzenesulfonamide

C12H9BrFNO2S — CID 822548

IUPAC4-bromo-N-(2-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1F)c1ccc(Br)cc1
InChIInChI=1S/C12H9BrFNO2S/c13-9-5-7-10(8-6-9)18(16,17)15-12-4-2-1-3-11(12)14/h1-8,15H
InChIKeyCQTHPTODZKSUGT-UHFFFAOYSA-N
MW330.18 g/mol
LogP3.39
Rot. Bonds3

About 4-bromo-N-(2-fluorophenyl)benzenesulfonamide

4-bromo-N-(2-fluorophenyl)benzenesulfonamide (PubChem CID 822548) has the molecular formula C12H9BrFNO2S and a molecular weight of 330.18 g/mol. Its IUPAC name is 4-bromo-N-(2-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-fluorophenyl)benzenesulfonamide
PubChem CID822548
Molecular FormulaC12H9BrFNO2S
Molecular Weight330.18 g/mol
Exact Mass328.95
IUPAC Name4-bromo-N-(2-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1F)c1ccc(Br)cc1
InChIInChI=1S/C12H9BrFNO2S/c13-9-5-7-10(8-6-9)18(16,17)15-12-4-2-1-3-11(12)14/h1-8,15H
InChIKeyCQTHPTODZKSUGT-UHFFFAOYSA-N
XLogP3.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-fluorophenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-fluorophenyl)benzenesulfonamide (CID 822548) is 4-bromo-N-(2-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-fluorophenyl)benzenesulfonamide is O=S(=O)(Nc1ccccc1F)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-fluorophenyl)benzenesulfonamide?
The InChIKey is CQTHPTODZKSUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO2S/c13-9-5-7-10(8-6-9)18(16,17)15-12-4-2-1-3-11(12)14/h1-8,15H.
What are the key properties of 4-bromo-N-(2-fluorophenyl)benzenesulfonamide?
4-bromo-N-(2-fluorophenyl)benzenesulfonamide has a molecular weight of 330.18 g/mol, XLogP of 3.39, 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-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 822548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).