3-fluoro-4-(5-methyl-3-pyridinyl)benzenesulfonamide

C12H11FN2O2S — CID 72843027

IUPAC3-fluoro-4-(5-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1cncc(-c2ccc(S(N)(=O)=O)cc2F)c1
InChIInChI=1S/C12H11FN2O2S/c1-8-4-9(7-15-6-8)11-3-2-10(5-12(11)13)18(14,16)17/h2-7H,1H3,(H2,14,16,17)
InChIKeyWRSZDSGQIOSANB-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.84
Rot. Bonds2

About 3-fluoro-4-(5-methyl-3-pyridinyl)benzenesulfonamide

3-fluoro-4-(5-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 72843027) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-fluoro-4-(5-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-(5-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID72843027
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name3-fluoro-4-(5-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1cncc(-c2ccc(S(N)(=O)=O)cc2F)c1
InChIInChI=1S/C12H11FN2O2S/c1-8-4-9(7-15-6-8)11-3-2-10(5-12(11)13)18(14,16)17/h2-7H,1H3,(H2,14,16,17)
InChIKeyWRSZDSGQIOSANB-UHFFFAOYSA-N
XLogP1.84
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(5-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-(5-methyl-3-pyridinyl)benzenesulfonamide (CID 72843027) is 3-fluoro-4-(5-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-(5-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-(5-methyl-3-pyridinyl)benzenesulfonamide is Cc1cncc(-c2ccc(S(N)(=O)=O)cc2F)c1.
What is the InChIKey of 3-fluoro-4-(5-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is WRSZDSGQIOSANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-8-4-9(7-15-6-8)11-3-2-10(5-12(11)13)18(14,16)17/h2-7H,1H3,(H2,14,16,17).
What are the key properties of 3-fluoro-4-(5-methyl-3-pyridinyl)benzenesulfonamide?
3-fluoro-4-(5-methyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 266.30 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(5-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 72843027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).