2-[4-[(3-fluoro-2-pyridinyl)sulfonyl]piperazin-1-yl]-N-methylacetamide

C12H17FN4O3S — CID 103299364

IUPAC2-[4-[(3-fluoro-2-pyridinyl)sulfonyl]piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(S(=O)(=O)c2ncccc2F)CC1
InChIInChI=1S/C12H17FN4O3S/c1-14-11(18)9-16-5-7-17(8-6-16)21(19,20)12-10(13)3-2-4-15-12/h2-4H,5-9H2,1H3,(H,14,18)
InChIKeyXGZGPMISHFXERC-UHFFFAOYSA-N
MW316.36 g/mol
LogP-0.73
Rot. Bonds4

About 2-[4-[(3-fluoro-2-pyridinyl)sulfonyl]piperazin-1-yl]-N-methylacetamide

2-[4-[(3-fluoro-2-pyridinyl)sulfonyl]piperazin-1-yl]-N-methylacetamide (PubChem CID 103299364) has the molecular formula C12H17FN4O3S and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[4-[(3-fluoro-2-pyridinyl)sulfonyl]piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(3-fluoro-2-pyridinyl)sulfonyl]piperazin-1-yl]-N-methylacetamide
PubChem CID103299364
Molecular FormulaC12H17FN4O3S
Molecular Weight316.36 g/mol
Exact Mass316.10
IUPAC Name2-[4-[(3-fluoro-2-pyridinyl)sulfonyl]piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(S(=O)(=O)c2ncccc2F)CC1
InChIInChI=1S/C12H17FN4O3S/c1-14-11(18)9-16-5-7-17(8-6-16)21(19,20)12-10(13)3-2-4-15-12/h2-4H,5-9H2,1H3,(H,14,18)
InChIKeyXGZGPMISHFXERC-UHFFFAOYSA-N
XLogP-0.73
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 103299442
1-[4-[(3-fluoro-2-pyridinyl)sulfonyl]-1,4-diazepan-1-yl]ethanone
CID 103299923
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]-N-methylethanamine
CID 103302531
2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 9023338
1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-(2-methoxyethyl)-1,4-diazepane
CID 103299683
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]acetic acid
CID 103298867
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide
CID 36849344
N-ethyl-1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]ethanamine
CID 103298412
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]azetidin-3-yl]acetic acid
CID 103298824
1-ethyl-4-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methylpiperazine
CID 103300086
2-[[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-methylacetamide
CID 8688551
3-fluoro-2-(3-methylpyrrolidin-1-yl)sulfonylpyridine
CID 103299830

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluoro-2-pyridinyl)sulfonyl]piperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[(3-fluoro-2-pyridinyl)sulfonyl]piperazin-1-yl]-N-methylacetamide (CID 103299364) is 2-[4-[(3-fluoro-2-pyridinyl)sulfonyl]piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(3-fluoro-2-pyridinyl)sulfonyl]piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(3-fluoro-2-pyridinyl)sulfonyl]piperazin-1-yl]-N-methylacetamide is CNC(=O)CN1CCN(S(=O)(=O)c2ncccc2F)CC1.
What is the InChIKey of 2-[4-[(3-fluoro-2-pyridinyl)sulfonyl]piperazin-1-yl]-N-methylacetamide?
The InChIKey is XGZGPMISHFXERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O3S/c1-14-11(18)9-16-5-7-17(8-6-16)21(19,20)12-10(13)3-2-4-15-12/h2-4H,5-9H2,1H3,(H,14,18).
What are the key properties of 2-[4-[(3-fluoro-2-pyridinyl)sulfonyl]piperazin-1-yl]-N-methylacetamide?
2-[4-[(3-fluoro-2-pyridinyl)sulfonyl]piperazin-1-yl]-N-methylacetamide has a molecular weight of 316.36 g/mol, XLogP of -0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluoro-2-pyridinyl)sulfonyl]piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 103299364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).