2-(4-bromo-3-fluorophenyl)-N-methylbenzenesulfonamide

C13H11BrFNO2S — CID 90313155

IUPAC2-(4-bromo-3-fluorophenyl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1-c1ccc(Br)c(F)c1
InChIInChI=1S/C13H11BrFNO2S/c1-16-19(17,18)13-5-3-2-4-10(13)9-6-7-11(14)12(15)8-9/h2-8,16H,1H3
InChIKeyQTBSJOWLOJPUMP-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.16
Rot. Bonds3

About 2-(4-bromo-3-fluorophenyl)-N-methylbenzenesulfonamide

2-(4-bromo-3-fluorophenyl)-N-methylbenzenesulfonamide (PubChem CID 90313155) has the molecular formula C13H11BrFNO2S and a molecular weight of 344.21 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenyl)-N-methylbenzenesulfonamide
PubChem CID90313155
Molecular FormulaC13H11BrFNO2S
Molecular Weight344.21 g/mol
Exact Mass342.97
IUPAC Name2-(4-bromo-3-fluorophenyl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1-c1ccc(Br)c(F)c1
InChIInChI=1S/C13H11BrFNO2S/c1-16-19(17,18)13-5-3-2-4-10(13)9-6-7-11(14)12(15)8-9/h2-8,16H,1H3
InChIKeyQTBSJOWLOJPUMP-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-(4-bromo-3-fluorophenyl)-N-methylbenzenesulfonamide (CID 90313155) is 2-(4-bromo-3-fluorophenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-(4-bromo-3-fluorophenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-(4-bromo-3-fluorophenyl)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1-c1ccc(Br)c(F)c1.
What is the InChIKey of 2-(4-bromo-3-fluorophenyl)-N-methylbenzenesulfonamide?
The InChIKey is QTBSJOWLOJPUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO2S/c1-16-19(17,18)13-5-3-2-4-10(13)9-6-7-11(14)12(15)8-9/h2-8,16H,1H3.
What are the key properties of 2-(4-bromo-3-fluorophenyl)-N-methylbenzenesulfonamide?
2-(4-bromo-3-fluorophenyl)-N-methylbenzenesulfonamide has a molecular weight of 344.21 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 90313155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).