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

C13H10BrClFNO2S — CID 60596902

IUPAC4-bromo-2-chloro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
SMILESCN(c1ccccc1F)S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H10BrClFNO2S/c1-17(12-5-3-2-4-11(12)16)20(18,19)13-7-6-9(14)8-10(13)15/h2-8H,1H3
InChIKeyFVFXBCSPZZHURD-UHFFFAOYSA-N
MW378.65 g/mol
LogP4.07
Rot. Bonds3

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

4-bromo-2-chloro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide (PubChem CID 60596902) has the molecular formula C13H10BrClFNO2S and a molecular weight of 378.65 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
PubChem CID60596902
Molecular FormulaC13H10BrClFNO2S
Molecular Weight378.65 g/mol
Exact Mass376.93
IUPAC Name4-bromo-2-chloro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
SMILESCN(c1ccccc1F)S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H10BrClFNO2S/c1-17(12-5-3-2-4-11(12)16)20(18,19)13-7-6-9(14)8-10(13)15/h2-8H,1H3
InChIKeyFVFXBCSPZZHURD-UHFFFAOYSA-N
XLogP4.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.65
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide (CID 60596902) is 4-bromo-2-chloro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide is CN(c1ccccc1F)S(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide?
The InChIKey is FVFXBCSPZZHURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFNO2S/c1-17(12-5-3-2-4-11(12)16)20(18,19)13-7-6-9(14)8-10(13)15/h2-8H,1H3.
What are the key properties of 4-bromo-2-chloro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide?
4-bromo-2-chloro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide has a molecular weight of 378.65 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 60596902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).