1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]ethanone

C17H18N2O3S — CID 742548

IUPAC1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C17H18N2O3S/c1-14(20)18-12-13-19(17(18)15-8-4-2-5-9-15)23(21,22)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3/t17-/m1/s1
InChIKeyWRSGAZVHVJMIAC-QGZVFWFLSA-N
MW330.41 g/mol
LogP2.24
Rot. Bonds3

About 1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]ethanone

1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]ethanone (PubChem CID 742548) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]ethanone
PubChem CID742548
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C17H18N2O3S/c1-14(20)18-12-13-19(17(18)15-8-4-2-5-9-15)23(21,22)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3/t17-/m1/s1
InChIKeyWRSGAZVHVJMIAC-QGZVFWFLSA-N
XLogP2.24
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]imidazolidin-1-yl]ethanone
CID 17371151
1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]propan-1-one
CID 6935280
3-(4-chlorophenyl)sulfonyl-N,N-dimethyl-2-phenylimidazolidine-1-carboxamide
CID 17340702
4-methyl-N-[1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethylidene]benzenesulfonamide
CID 4679193
1-[2-[4-(diethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone
CID 2899171
1-[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]ethanone
CID 170409197
[(2S)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazolidin-1-yl]-(4-methylphenyl)methanone
CID 41354462
(2S)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-N-phenylimidazolidine-1-carboxamide
CID 41301101
1-[(2S)-3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-piperidin-1-ium-1-ylethanone
CID 7355252
[(2R)-3-(4-fluorophenyl)sulfonyl-2-phenylimidazolidin-1-yl]-morpholin-4-ylmethanone
CID 8768152
(2S)-1-(benzenesulfonyl)-2-phenyl-3-(2,4,6-trimethylphenyl)sulfonylimidazolidine
CID 1036909
[(2S)-2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-phenylmethanone
CID 41354402

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]ethanone (CID 742548) is 1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]ethanone is CC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of 1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]ethanone?
The InChIKey is WRSGAZVHVJMIAC-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-14(20)18-12-13-19(17(18)15-8-4-2-5-9-15)23(21,22)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3/t17-/m1/s1.
What are the key properties of 1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]ethanone?
1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]ethanone has a molecular weight of 330.41 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]ethanone is sourced from PubChem (CID 742548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).