4-fluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide

C12H11FN2O2S — CID 793818

IUPAC4-fluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(F)cc2)nc1
InChIInChI=1S/C12H11FN2O2S/c1-9-2-7-12(14-8-9)15-18(16,17)11-5-3-10(13)4-6-11/h2-8H,1H3,(H,14,15)
InChIKeyQQCSKBQDGYVNEU-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.33
Rot. Bonds3

About 4-fluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide

4-fluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 793818) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-fluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID793818
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name4-fluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(F)cc2)nc1
InChIInChI=1S/C12H11FN2O2S/c1-9-2-7-12(14-8-9)15-18(16,17)11-5-3-10(13)4-6-11/h2-8H,1H3,(H,14,15)
InChIKeyQQCSKBQDGYVNEU-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-N-(5-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide (CID 793818) is 4-fluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)nc1.
What is the InChIKey of 4-fluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is QQCSKBQDGYVNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-9-2-7-12(14-8-9)15-18(16,17)11-5-3-10(13)4-6-11/h2-8H,1H3,(H,14,15).
What are the key properties of 4-fluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide?
4-fluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide 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-N-(5-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 793818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).