1-(4-fluorophenyl)-N-(5-fluoro-3-pyridinyl)methanesulfonamide

C12H10F2N2O2S — CID 110872384

IUPAC1-(4-fluorophenyl)-N-(5-fluoro-3-pyridinyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)Nc1cncc(F)c1
InChIInChI=1S/C12H10F2N2O2S/c13-10-3-1-9(2-4-10)8-19(17,18)16-12-5-11(14)6-15-7-12/h1-7,16H,8H2
InChIKeyLJFPFIRWMIDBLO-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.30
Rot. Bonds4

About 1-(4-fluorophenyl)-N-(5-fluoro-3-pyridinyl)methanesulfonamide

1-(4-fluorophenyl)-N-(5-fluoro-3-pyridinyl)methanesulfonamide (PubChem CID 110872384) has the molecular formula C12H10F2N2O2S and a molecular weight of 284.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(5-fluoro-3-pyridinyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(5-fluoro-3-pyridinyl)methanesulfonamide
PubChem CID110872384
Molecular FormulaC12H10F2N2O2S
Molecular Weight284.29 g/mol
Exact Mass284.04
IUPAC Name1-(4-fluorophenyl)-N-(5-fluoro-3-pyridinyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)Nc1cncc(F)c1
InChIInChI=1S/C12H10F2N2O2S/c13-10-3-1-9(2-4-10)8-19(17,18)16-12-5-11(14)6-15-7-12/h1-7,16H,8H2
InChIKeyLJFPFIRWMIDBLO-UHFFFAOYSA-N
XLogP2.30
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-N-pyridin-3-YL-benzenesulfonamide
CID 757406
4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 676049
4-Methyl-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 731623
4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 688002
N-3-Pyridylbenzenesulfonamide
CID 339079
N-(3-phenylamino-4-pyridinyl)methanesulfonamide
CID 44475843
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]methanesulfonamide
CID 5156859
N'-(2,4-difluorophenyl)sulfonyl-N-pyridin-3-ylbenzenecarboximidamide
CID 5674012
3-Pyridyl{[3-(trifluoromethyl)phenyl]sulfonyl}amine
CID 697901
N-(3-phenylamino-4-pyridinyl)trifluoromethanesulfonamide
CID 11472579
N-((3R,4R)-4-(4-(6-fluoropyridin-3-yl)phenyl)-1-phenylpyrrolidin-3-yl)propane-2-sulfonamide
CID 11568363
N-((3R,4R)-4-(4-(6-fluoropyridin-3-yl)phenyl)-1-methylpyrrolidin-3-yl)propane-2-sulfonamide
CID 11632254

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(5-fluoro-3-pyridinyl)methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(5-fluoro-3-pyridinyl)methanesulfonamide (CID 110872384) is 1-(4-fluorophenyl)-N-(5-fluoro-3-pyridinyl)methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(5-fluoro-3-pyridinyl)methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(5-fluoro-3-pyridinyl)methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)Nc1cncc(F)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(5-fluoro-3-pyridinyl)methanesulfonamide?
The InChIKey is LJFPFIRWMIDBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2S/c13-10-3-1-9(2-4-10)8-19(17,18)16-12-5-11(14)6-15-7-12/h1-7,16H,8H2.
What are the key properties of 1-(4-fluorophenyl)-N-(5-fluoro-3-pyridinyl)methanesulfonamide?
1-(4-fluorophenyl)-N-(5-fluoro-3-pyridinyl)methanesulfonamide has a molecular weight of 284.29 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(5-fluoro-3-pyridinyl)methanesulfonamide is sourced from PubChem (CID 110872384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).