1-[4-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone

C17H20N2O3S — CID 25491119

IUPAC1-[4-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccn2C)cc1
InChIInChI=1S/C17H20N2O3S/c1-13(20)14-7-9-15(10-8-14)23(21,22)19-12-4-6-17(19)16-5-3-11-18(16)2/h3,5,7-11,17H,4,6,12H2,1-2H3/t17-/m1/s1
InChIKeyHSAZJGNNWZWSMY-QGZVFWFLSA-N
MW332.43 g/mol
LogP2.75
Rot. Bonds4

About 1-[4-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone

1-[4-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone (PubChem CID 25491119) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-[4-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone
PubChem CID25491119
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name1-[4-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccn2C)cc1
InChIInChI=1S/C17H20N2O3S/c1-13(20)14-7-9-15(10-8-14)23(21,22)19-12-4-6-17(19)16-5-3-11-18(16)2/h3,5,7-11,17H,4,6,12H2,1-2H3/t17-/m1/s1
InChIKeyHSAZJGNNWZWSMY-QGZVFWFLSA-N
XLogP2.75
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 110750444
1-[1-(4-acetylphenyl)sulfonylpiperidin-2-yl]ethanone
CID 63845358
methyl 1-(4-acetylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 3866930
1-[4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 9171628
1-[4-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 9171630
2-[1-(2,5-dibromophenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrrole
CID 17466193
1-[4-[[(1R)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]phenyl]ethanone
CID 7387227
1-[4-[[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]sulfonyl]phenyl]ethanone
CID 100895817
cyclopropyl-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CID 94819352
1-[4-[4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]sulfonylphenyl]ethanone
CID 55888653
1-[4-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 47813960
methyl 4-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylbenzoate
CID 42943935

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone?
The IUPAC name of 1-[4-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone (CID 25491119) is 1-[4-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[4-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone?
The canonical SMILES for 1-[4-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone is CC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccn2C)cc1.
What is the InChIKey of 1-[4-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone?
The InChIKey is HSAZJGNNWZWSMY-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-13(20)14-7-9-15(10-8-14)23(21,22)19-12-4-6-17(19)16-5-3-11-18(16)2/h3,5,7-11,17H,4,6,12H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-[4-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone?
1-[4-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone has a molecular weight of 332.43 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone is sourced from PubChem (CID 25491119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).