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

C12H11FN2O2S — CID 6472559

IUPAC4-fluoro-3-methyl-N-pyridin-3-ylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccnc2)ccc1F
InChIInChI=1S/C12H11FN2O2S/c1-9-7-11(4-5-12(9)13)18(16,17)15-10-3-2-6-14-8-10/h2-8,15H,1H3
InChIKeyCGTREEDBEWDTLW-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.33
Rot. Bonds3

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

4-fluoro-3-methyl-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 6472559) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-pyridin-3-ylbenzenesulfonamide
PubChem CID6472559
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name4-fluoro-3-methyl-N-pyridin-3-ylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccnc2)ccc1F
InChIInChI=1S/C12H11FN2O2S/c1-9-7-11(4-5-12(9)13)18(16,17)15-10-3-2-6-14-8-10/h2-8,15H,1H3
InChIKeyCGTREEDBEWDTLW-UHFFFAOYSA-N
XLogP2.33
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-pyridin-3-ylbenzenesulfonamide (CID 6472559) is 4-fluoro-3-methyl-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-pyridin-3-ylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cccnc2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is CGTREEDBEWDTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-9-7-11(4-5-12(9)13)18(16,17)15-10-3-2-6-14-8-10/h2-8,15H,1H3.
What are the key properties of 4-fluoro-3-methyl-N-pyridin-3-ylbenzenesulfonamide?
4-fluoro-3-methyl-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 266.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 6472559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).