N-[3-(4-fluorophenyl)-4-pyridinyl]methanesulfonamide

C12H11FN2O2S — CID 141481661

IUPACN-[3-(4-fluorophenyl)-4-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccncc1-c1ccc(F)cc1
InChIInChI=1S/C12H11FN2O2S/c1-18(16,17)15-12-6-7-14-8-11(12)9-2-4-10(13)5-3-9/h2-8H,1H3,(H,14,15)
InChIKeyLXFBJNNSWMBWCS-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.26
Rot. Bonds3

About N-[3-(4-fluorophenyl)-4-pyridinyl]methanesulfonamide

N-[3-(4-fluorophenyl)-4-pyridinyl]methanesulfonamide (PubChem CID 141481661) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-4-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-4-pyridinyl]methanesulfonamide
PubChem CID141481661
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC NameN-[3-(4-fluorophenyl)-4-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccncc1-c1ccc(F)cc1
InChIInChI=1S/C12H11FN2O2S/c1-18(16,17)15-12-6-7-14-8-11(12)9-2-4-10(13)5-3-9/h2-8H,1H3,(H,14,15)
InChIKeyLXFBJNNSWMBWCS-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-4-pyridinyl]methanesulfonamide?
The IUPAC name of N-[3-(4-fluorophenyl)-4-pyridinyl]methanesulfonamide (CID 141481661) is N-[3-(4-fluorophenyl)-4-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-4-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-4-pyridinyl]methanesulfonamide is CS(=O)(=O)Nc1ccncc1-c1ccc(F)cc1.
What is the InChIKey of N-[3-(4-fluorophenyl)-4-pyridinyl]methanesulfonamide?
The InChIKey is LXFBJNNSWMBWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-18(16,17)15-12-6-7-14-8-11(12)9-2-4-10(13)5-3-9/h2-8H,1H3,(H,14,15).
What are the key properties of N-[3-(4-fluorophenyl)-4-pyridinyl]methanesulfonamide?
N-[3-(4-fluorophenyl)-4-pyridinyl]methanesulfonamide has a molecular weight of 266.30 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-4-pyridinyl]methanesulfonamide is sourced from PubChem (CID 141481661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).