4-fluoro-3-methyl-N-(5-phenyl-2-pyridinyl)benzenesulfonamide

C18H15FN2O2S — CID 110634665

IUPAC4-fluoro-3-methyl-N-(5-phenyl-2-pyridinyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(-c3ccccc3)cn2)ccc1F
InChIInChI=1S/C18H15FN2O2S/c1-13-11-16(8-9-17(13)19)24(22,23)21-18-10-7-15(12-20-18)14-5-3-2-4-6-14/h2-12H,1H3,(H,20,21)
InChIKeyOFWDLYSSEMUPAW-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.00
Rot. Bonds4

About 4-fluoro-3-methyl-N-(5-phenyl-2-pyridinyl)benzenesulfonamide

4-fluoro-3-methyl-N-(5-phenyl-2-pyridinyl)benzenesulfonamide (PubChem CID 110634665) has the molecular formula C18H15FN2O2S and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(5-phenyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(5-phenyl-2-pyridinyl)benzenesulfonamide
PubChem CID110634665
Molecular FormulaC18H15FN2O2S
Molecular Weight342.40 g/mol
Exact Mass342.08
IUPAC Name4-fluoro-3-methyl-N-(5-phenyl-2-pyridinyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(-c3ccccc3)cn2)ccc1F
InChIInChI=1S/C18H15FN2O2S/c1-13-11-16(8-9-17(13)19)24(22,23)21-18-10-7-15(12-20-18)14-5-3-2-4-6-14/h2-12H,1H3,(H,20,21)
InChIKeyOFWDLYSSEMUPAW-UHFFFAOYSA-N
XLogP4.00
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.00
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-(5-phenyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-(5-phenyl-2-pyridinyl)benzenesulfonamide (CID 110634665) is 4-fluoro-3-methyl-N-(5-phenyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-(5-phenyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-(5-phenyl-2-pyridinyl)benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(-c3ccccc3)cn2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-(5-phenyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is OFWDLYSSEMUPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2S/c1-13-11-16(8-9-17(13)19)24(22,23)21-18-10-7-15(12-20-18)14-5-3-2-4-6-14/h2-12H,1H3,(H,20,21).
What are the key properties of 4-fluoro-3-methyl-N-(5-phenyl-2-pyridinyl)benzenesulfonamide?
4-fluoro-3-methyl-N-(5-phenyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 342.40 g/mol, XLogP of 4.00, 4 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-(5-phenyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 110634665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).