2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-oxopiperazin-2-yl]acetic acid

C11H12FN3O5S — CID 103298814

IUPAC2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-oxopiperazin-2-yl]acetic acid
SMILESO=C(O)CC1C(=O)NCCN1S(=O)(=O)c1ncccc1F
InChIInChI=1S/C11H12FN3O5S/c12-7-2-1-3-14-11(7)21(19,20)15-5-4-13-10(18)8(15)6-9(16)17/h1-3,8H,4-6H2,(H,13,18)(H,16,17)
InChIKeyHBPKKDDRBVCWAR-UHFFFAOYSA-N
MW317.30 g/mol
LogP-0.82
Rot. Bonds4

About 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-oxopiperazin-2-yl]acetic acid

2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-oxopiperazin-2-yl]acetic acid (PubChem CID 103298814) has the molecular formula C11H12FN3O5S and a molecular weight of 317.30 g/mol. Its IUPAC name is 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-oxopiperazin-2-yl]acetic acid
PubChem CID103298814
Molecular FormulaC11H12FN3O5S
Molecular Weight317.30 g/mol
Exact Mass317.05
IUPAC Name2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-oxopiperazin-2-yl]acetic acid
SMILESO=C(O)CC1C(=O)NCCN1S(=O)(=O)c1ncccc1F
InChIInChI=1S/C11H12FN3O5S/c12-7-2-1-3-14-11(7)21(19,20)15-5-4-13-10(18)8(15)6-9(16)17/h1-3,8H,4-6H2,(H,13,18)(H,16,17)
InChIKeyHBPKKDDRBVCWAR-UHFFFAOYSA-N
XLogP-0.82
TPSA116.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-oxo-1-pyridin-3-ylsulfonylpiperazin-2-yl)acetic acid
CID 62034595
2-[1-(2-methylpyrazol-3-yl)sulfonyl-3-oxopiperazin-2-yl]acetic acid
CID 104709647
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]azetidin-3-yl]acetic acid
CID 103298824
2-[1-(2,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetic acid
CID 66756006
2-[1-(2-fluorophenyl)-3-oxopiperazin-2-yl]acetic acid
CID 82019151
2-(1-cyclopentylsulfonyl-3-oxopiperazin-2-yl)acetic acid
CID 105360846
2-[(2R)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 51720530
2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 45494569
2-[1-(5-fluoropyrimidin-2-yl)-3-oxopiperazin-2-yl]acetic acid
CID 104605926
2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 39311068
2-[1-(2-methylsulfanylpyridine-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 62034402
2-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-3-oxopiperazin-2-yl]acetic acid
CID 80577422

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-oxopiperazin-2-yl]acetic acid (CID 103298814) is 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-oxopiperazin-2-yl]acetic acid is O=C(O)CC1C(=O)NCCN1S(=O)(=O)c1ncccc1F.
What is the InChIKey of 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is HBPKKDDRBVCWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O5S/c12-7-2-1-3-14-11(7)21(19,20)15-5-4-13-10(18)8(15)6-9(16)17/h1-3,8H,4-6H2,(H,13,18)(H,16,17).
What are the key properties of 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-oxopiperazin-2-yl]acetic acid?
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 317.30 g/mol, XLogP of -0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 103298814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).