1-[1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]ethanone

C17H17NO3S — CID 10495554

IUPAC1-[1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]ethanone
SMILESCC(=O)C1C(c2ccccc2)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H17NO3S/c1-12-8-10-15(11-9-12)22(20,21)18-16(13(2)19)17(18)14-6-4-3-5-7-14/h3-11,16-17H,1-2H3
InChIKeyHTNNCYUSEOYKPL-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.70
Rot. Bonds4

About 1-[1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]ethanone

1-[1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]ethanone (PubChem CID 10495554) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]ethanone
PubChem CID10495554
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC Name1-[1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]ethanone
SMILESCC(=O)C1C(c2ccccc2)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H17NO3S/c1-12-8-10-15(11-9-12)22(20,21)18-16(13(2)19)17(18)14-6-4-3-5-7-14/h3-11,16-17H,1-2H3
InChIKeyHTNNCYUSEOYKPL-UHFFFAOYSA-N
XLogP2.70
TPSA54.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1-[1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(benzenesulfonyl)-2-phenyl-3,6-dihydro-2H-pyridin-5-yl]ethanone
CID 51358989
1-[1-(4-methylphenyl)sulfonyl-2-phenyl-3,6-dihydro-2H-pyridin-5-yl]ethanone
CID 6609985
1-[2-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]ethanone
CID 11639263
1-[2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]ethanone
CID 11639374
1-[1-(2-methylphenyl)sulfonyl-2-phenyl-3,6-dihydro-2H-pyridin-5-yl]ethanone
CID 51358995
1-[1-(3-methylphenyl)sulfonyl-2-phenyl-3,6-dihydro-2H-pyridin-5-yl]ethanone
CID 51359261
1-[(3S)-2-cyclohexyl-1,1-dioxo-3H-1,2-benzothiazol-3-yl]propan-2-one
CID 24747367
(3S)-3-benzyl-2-[(4-methylphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-one
CID 42628485
2-benzyl-1-(phenylsulfonyl)-1,2-dihydropyridin-3(6H)-one
CID 44413786
1-(4-Methylphenyl)sulfonyl-2-phenylpiperidin-4-one
CID 44825800
1-[4-Methyl-1-(4-methylphenyl)sulfonyl-6-phenylpiperidin-3-yl]ethanone
CID 53384230
1-[2-(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]ethanone
CID 51359004

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]ethanone?
The IUPAC name of 1-[1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]ethanone (CID 10495554) is 1-[1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]ethanone.
What is the SMILES notation for 1-[1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]ethanone?
The canonical SMILES for 1-[1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]ethanone is CC(=O)C1C(c2ccccc2)N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 1-[1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]ethanone?
The InChIKey is HTNNCYUSEOYKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S/c1-12-8-10-15(11-9-12)22(20,21)18-16(13(2)19)17(18)14-6-4-3-5-7-14/h3-11,16-17H,1-2H3.
What are the key properties of 1-[1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]ethanone?
1-[1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]ethanone has a molecular weight of 315.39 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]ethanone is sourced from PubChem (CID 10495554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).