4-bromo-2-fluoro-N-methyl-N-pyridin-3-ylbenzenesulfonamide

C12H10BrFN2O2S — CID 86796948

IUPAC4-bromo-2-fluoro-N-methyl-N-pyridin-3-ylbenzenesulfonamide
SMILESCN(c1cccnc1)S(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C12H10BrFN2O2S/c1-16(10-3-2-6-15-8-10)19(17,18)12-5-4-9(13)7-11(12)14/h2-8H,1H3
InChIKeyIUYDKWXDWDMOHB-UHFFFAOYSA-N
MW345.19 g/mol
LogP2.81
Rot. Bonds3

About 4-bromo-2-fluoro-N-methyl-N-pyridin-3-ylbenzenesulfonamide

4-bromo-2-fluoro-N-methyl-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 86796948) has the molecular formula C12H10BrFN2O2S and a molecular weight of 345.19 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-methyl-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-methyl-N-pyridin-3-ylbenzenesulfonamide
PubChem CID86796948
Molecular FormulaC12H10BrFN2O2S
Molecular Weight345.19 g/mol
Exact Mass343.96
IUPAC Name4-bromo-2-fluoro-N-methyl-N-pyridin-3-ylbenzenesulfonamide
SMILESCN(c1cccnc1)S(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C12H10BrFN2O2S/c1-16(10-3-2-6-15-8-10)19(17,18)12-5-4-9(13)7-11(12)14/h2-8H,1H3
InChIKeyIUYDKWXDWDMOHB-UHFFFAOYSA-N
XLogP2.81
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-methyl-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 4-bromo-2-fluoro-N-methyl-N-pyridin-3-ylbenzenesulfonamide (CID 86796948) is 4-bromo-2-fluoro-N-methyl-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-methyl-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-bromo-2-fluoro-N-methyl-N-pyridin-3-ylbenzenesulfonamide is CN(c1cccnc1)S(=O)(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-methyl-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is IUYDKWXDWDMOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O2S/c1-16(10-3-2-6-15-8-10)19(17,18)12-5-4-9(13)7-11(12)14/h2-8H,1H3.
What are the key properties of 4-bromo-2-fluoro-N-methyl-N-pyridin-3-ylbenzenesulfonamide?
4-bromo-2-fluoro-N-methyl-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 345.19 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-methyl-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 86796948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).