2-(benzenesulfonyl)-1-pyrrolidin-1-id-2-ylethanone;tantalum

C12H14NO3STa- — CID 169145063

IUPAC2-(benzenesulfonyl)-1-pyrrolidin-1-id-2-ylethanone;tantalum
SMILESO=C(CS(=O)(=O)c1ccccc1)C1CCC[N-]1.[Ta]
InChIInChI=1S/C12H14NO3S.Ta/c14-12(11-7-4-8-13-11)9-17(15,16)10-5-2-1-3-6-10;/h1-3,5-6,11H,4,7-9H2;/q-1;
InChIKeyTZXFPNGLSLAFPA-UHFFFAOYSA-N
MW433.26 g/mol
LogP1.56
Rot. Bonds4

About 2-(benzenesulfonyl)-1-pyrrolidin-1-id-2-ylethanone;tantalum

2-(benzenesulfonyl)-1-pyrrolidin-1-id-2-ylethanone;tantalum (PubChem CID 169145063) has the molecular formula C12H14NO3STa- and a molecular weight of 433.26 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-pyrrolidin-1-id-2-ylethanone;tantalum.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-pyrrolidin-1-id-2-ylethanone;tantalum
PubChem CID169145063
Molecular FormulaC12H14NO3STa-
Molecular Weight433.26 g/mol
Exact Mass433.02
IUPAC Name2-(benzenesulfonyl)-1-pyrrolidin-1-id-2-ylethanone;tantalum
SMILESO=C(CS(=O)(=O)c1ccccc1)C1CCC[N-]1.[Ta]
InChIInChI=1S/C12H14NO3S.Ta/c14-12(11-7-4-8-13-11)9-17(15,16)10-5-2-1-3-6-10;/h1-3,5-6,11H,4,7-9H2;/q-1;
InChIKeyTZXFPNGLSLAFPA-UHFFFAOYSA-N
XLogP1.56
TPSA65.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.26
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,5R,6S)-6-(benzenesulfonyl)-6-fluoro-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-one
CID 134920960
1-(2-Oxo-3-(phenylsulfonyl)propyl)-2-pyrrolidinone
CID 373301
1-[4-Fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]ethanone
CID 123272044
1-[1-(4-Fluorophenyl)sulfonylpyrrolidin-2-yl]ethanone
CID 123618225
1-[(3S,4S)-4-(benzenesulfonyl)-1-butan-2-ylpyrrolidin-3-yl]ethanone
CID 135050366
1-(Benzenesulfonyl)-5-methylpyrrolidin-3-one
CID 135078565
1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-methylsulfanylpropan-1-one
CID 159358776
1-(benzenesulfonyl)pyrrolidine-2-carbothioic S-acid
CID 21699820
(2S)-1-(benzenesulfonyl)pyrrolidine-2-carbothioic S-acid
CID 88145772
2-(Benzenesulfonyl)-1-pyrrolidin-2-ylethanone
CID 169145041
2-(benzenesulfonyl)-1-[(2S)-pyrrolidin-2-yl]ethanone
CID 169145049
2-(Benzenesulfonyl)-1-pyrrolidin-1-id-2-ylethanone;palladium
CID 169145052

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-pyrrolidin-1-id-2-ylethanone;tantalum?
The IUPAC name of 2-(benzenesulfonyl)-1-pyrrolidin-1-id-2-ylethanone;tantalum (CID 169145063) is 2-(benzenesulfonyl)-1-pyrrolidin-1-id-2-ylethanone;tantalum.
What is the SMILES notation for 2-(benzenesulfonyl)-1-pyrrolidin-1-id-2-ylethanone;tantalum?
The canonical SMILES for 2-(benzenesulfonyl)-1-pyrrolidin-1-id-2-ylethanone;tantalum is O=C(CS(=O)(=O)c1ccccc1)C1CCC[N-]1.[Ta].
What is the InChIKey of 2-(benzenesulfonyl)-1-pyrrolidin-1-id-2-ylethanone;tantalum?
The InChIKey is TZXFPNGLSLAFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14NO3S.Ta/c14-12(11-7-4-8-13-11)9-17(15,16)10-5-2-1-3-6-10;/h1-3,5-6,11H,4,7-9H2;/q-1;.
What are the key properties of 2-(benzenesulfonyl)-1-pyrrolidin-1-id-2-ylethanone;tantalum?
2-(benzenesulfonyl)-1-pyrrolidin-1-id-2-ylethanone;tantalum has a molecular weight of 433.26 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-pyrrolidin-1-id-2-ylethanone;tantalum is sourced from PubChem (CID 169145063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).