5-bromo-N-(3,4-difluorophenyl)-2-methylbenzenesulfonamide

C13H10BrF2NO2S — CID 8514031

IUPAC5-bromo-N-(3,4-difluorophenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C13H10BrF2NO2S/c1-8-2-3-9(14)6-13(8)20(18,19)17-10-4-5-11(15)12(16)7-10/h2-7,17H,1H3
InChIKeyYYIYPTMVIHGRLV-UHFFFAOYSA-N
MW362.20 g/mol
LogP3.84
Rot. Bonds3

About 5-bromo-N-(3,4-difluorophenyl)-2-methylbenzenesulfonamide

5-bromo-N-(3,4-difluorophenyl)-2-methylbenzenesulfonamide (PubChem CID 8514031) has the molecular formula C13H10BrF2NO2S and a molecular weight of 362.20 g/mol. Its IUPAC name is 5-bromo-N-(3,4-difluorophenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3,4-difluorophenyl)-2-methylbenzenesulfonamide
PubChem CID8514031
Molecular FormulaC13H10BrF2NO2S
Molecular Weight362.20 g/mol
Exact Mass360.96
IUPAC Name5-bromo-N-(3,4-difluorophenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C13H10BrF2NO2S/c1-8-2-3-9(14)6-13(8)20(18,19)17-10-4-5-11(15)12(16)7-10/h2-7,17H,1H3
InChIKeyYYIYPTMVIHGRLV-UHFFFAOYSA-N
XLogP3.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.20
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,4-difluorophenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-bromo-N-(3,4-difluorophenyl)-2-methylbenzenesulfonamide (CID 8514031) is 5-bromo-N-(3,4-difluorophenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(3,4-difluorophenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(3,4-difluorophenyl)-2-methylbenzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 5-bromo-N-(3,4-difluorophenyl)-2-methylbenzenesulfonamide?
The InChIKey is YYIYPTMVIHGRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2NO2S/c1-8-2-3-9(14)6-13(8)20(18,19)17-10-4-5-11(15)12(16)7-10/h2-7,17H,1H3.
What are the key properties of 5-bromo-N-(3,4-difluorophenyl)-2-methylbenzenesulfonamide?
5-bromo-N-(3,4-difluorophenyl)-2-methylbenzenesulfonamide has a molecular weight of 362.20 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,4-difluorophenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 8514031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).