[5-(3-fluorophenyl)sulfonyl-2-pyridinyl]-piperazin-1-ylmethanone

C16H16FN3O3S — CID 71695165

IUPAC[5-(3-fluorophenyl)sulfonyl-2-pyridinyl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc(S(=O)(=O)c2cccc(F)c2)cn1)N1CCNCC1
InChIInChI=1S/C16H16FN3O3S/c17-12-2-1-3-13(10-12)24(22,23)14-4-5-15(19-11-14)16(21)20-8-6-18-7-9-20/h1-5,10-11,18H,6-9H2
InChIKeyTWSLDFKIANICAL-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.10
Rot. Bonds3

About [5-(3-fluorophenyl)sulfonyl-2-pyridinyl]-piperazin-1-ylmethanone

[5-(3-fluorophenyl)sulfonyl-2-pyridinyl]-piperazin-1-ylmethanone (PubChem CID 71695165) has the molecular formula C16H16FN3O3S and a molecular weight of 349.39 g/mol. Its IUPAC name is [5-(3-fluorophenyl)sulfonyl-2-pyridinyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[5-(3-fluorophenyl)sulfonyl-2-pyridinyl]-piperazin-1-ylmethanone
PubChem CID71695165
Molecular FormulaC16H16FN3O3S
Molecular Weight349.39 g/mol
Exact Mass349.09
IUPAC Name[5-(3-fluorophenyl)sulfonyl-2-pyridinyl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc(S(=O)(=O)c2cccc(F)c2)cn1)N1CCNCC1
InChIInChI=1S/C16H16FN3O3S/c17-12-2-1-3-13(10-12)24(22,23)14-4-5-15(19-11-14)16(21)20-8-6-18-7-9-20/h1-5,10-11,18H,6-9H2
InChIKeyTWSLDFKIANICAL-UHFFFAOYSA-N
XLogP1.10
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(3-fluorophenyl)sulfonyl-2-pyridinyl]-piperazin-1-ylmethanone?
The IUPAC name of [5-(3-fluorophenyl)sulfonyl-2-pyridinyl]-piperazin-1-ylmethanone (CID 71695165) is [5-(3-fluorophenyl)sulfonyl-2-pyridinyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [5-(3-fluorophenyl)sulfonyl-2-pyridinyl]-piperazin-1-ylmethanone?
The canonical SMILES for [5-(3-fluorophenyl)sulfonyl-2-pyridinyl]-piperazin-1-ylmethanone is O=C(c1ccc(S(=O)(=O)c2cccc(F)c2)cn1)N1CCNCC1.
What is the InChIKey of [5-(3-fluorophenyl)sulfonyl-2-pyridinyl]-piperazin-1-ylmethanone?
The InChIKey is TWSLDFKIANICAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3S/c17-12-2-1-3-13(10-12)24(22,23)14-4-5-15(19-11-14)16(21)20-8-6-18-7-9-20/h1-5,10-11,18H,6-9H2.
What are the key properties of [5-(3-fluorophenyl)sulfonyl-2-pyridinyl]-piperazin-1-ylmethanone?
[5-(3-fluorophenyl)sulfonyl-2-pyridinyl]-piperazin-1-ylmethanone has a molecular weight of 349.39 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-fluorophenyl)sulfonyl-2-pyridinyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 71695165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).