4-[(5-fluoro-3-pyridinyl)sulfonyl]-3-methylpiperazin-2-one

C10H12FN3O3S — CID 63362437

IUPAC4-[(5-fluoro-3-pyridinyl)sulfonyl]-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C10H12FN3O3S/c1-7-10(15)13-2-3-14(7)18(16,17)9-4-8(11)5-12-6-9/h4-7H,2-3H2,1H3,(H,13,15)
InChIKeyKBRRRFHBNRTSSQ-UHFFFAOYSA-N
MW273.29 g/mol
LogP-0.27
Rot. Bonds2

About 4-[(5-fluoro-3-pyridinyl)sulfonyl]-3-methylpiperazin-2-one

4-[(5-fluoro-3-pyridinyl)sulfonyl]-3-methylpiperazin-2-one (PubChem CID 63362437) has the molecular formula C10H12FN3O3S and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-[(5-fluoro-3-pyridinyl)sulfonyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[(5-fluoro-3-pyridinyl)sulfonyl]-3-methylpiperazin-2-one
PubChem CID63362437
Molecular FormulaC10H12FN3O3S
Molecular Weight273.29 g/mol
Exact Mass273.06
IUPAC Name4-[(5-fluoro-3-pyridinyl)sulfonyl]-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C10H12FN3O3S/c1-7-10(15)13-2-3-14(7)18(16,17)9-4-8(11)5-12-6-9/h4-7H,2-3H2,1H3,(H,13,15)
InChIKeyKBRRRFHBNRTSSQ-UHFFFAOYSA-N
XLogP-0.27
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-3-pyridinyl)sulfonyl]-3-methylpiperazin-2-one?
The IUPAC name of 4-[(5-fluoro-3-pyridinyl)sulfonyl]-3-methylpiperazin-2-one (CID 63362437) is 4-[(5-fluoro-3-pyridinyl)sulfonyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 4-[(5-fluoro-3-pyridinyl)sulfonyl]-3-methylpiperazin-2-one?
The canonical SMILES for 4-[(5-fluoro-3-pyridinyl)sulfonyl]-3-methylpiperazin-2-one is CC1C(=O)NCCN1S(=O)(=O)c1cncc(F)c1.
What is the InChIKey of 4-[(5-fluoro-3-pyridinyl)sulfonyl]-3-methylpiperazin-2-one?
The InChIKey is KBRRRFHBNRTSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O3S/c1-7-10(15)13-2-3-14(7)18(16,17)9-4-8(11)5-12-6-9/h4-7H,2-3H2,1H3,(H,13,15).
What are the key properties of 4-[(5-fluoro-3-pyridinyl)sulfonyl]-3-methylpiperazin-2-one?
4-[(5-fluoro-3-pyridinyl)sulfonyl]-3-methylpiperazin-2-one has a molecular weight of 273.29 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-3-pyridinyl)sulfonyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 63362437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).