1-(4-methylphenyl)sulfonyl-2-phenylaziridine

C15H15NO2S — CID 576319

IUPAC1-(4-methylphenyl)sulfonyl-2-phenylaziridine
SMILESCc1ccc(S(=O)(=O)N2CC2c2ccccc2)cc1
InChIInChI=1S/C15H15NO2S/c1-12-7-9-14(10-8-12)19(17,18)16-11-15(16)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
InChIKeyKUWCTOOXSUPLAW-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.74
Rot. Bonds3

About 1-(4-methylphenyl)sulfonyl-2-phenylaziridine

1-(4-methylphenyl)sulfonyl-2-phenylaziridine (PubChem CID 576319) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-2-phenylaziridine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-2-phenylaziridine
PubChem CID576319
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name1-(4-methylphenyl)sulfonyl-2-phenylaziridine
SMILESCc1ccc(S(=O)(=O)N2CC2c2ccccc2)cc1
InChIInChI=1S/C15H15NO2S/c1-12-7-9-14(10-8-12)19(17,18)16-11-15(16)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
InChIKeyKUWCTOOXSUPLAW-UHFFFAOYSA-N
XLogP2.74
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(benzenesulfonyl)-2-phenylaziridine
CID 576325
(2R,3R,5S)-1,4-bis-(4-methylphenyl)sulfonyl-2,3,5-triphenylpiperazine
CID 134953521
(2R)-2-(4-bromophenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 7360494
(2R)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 101342795
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480
[(3S,5S)-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolidin-3-yl]-tri(propan-2-yl)silane
CID 11167017
[4-(2-phenylaziridin-1-yl)sulfonylphenyl]methanamine
CID 152708985
(2R)-1-(4-nitrophenyl)sulfonyl-2-phenylaziridine
CID 11150856
N-[4-(2-phenylaziridin-1-yl)sulfonylphenyl]acetamide
CID 24882129
1-(4-methylphenyl)sulfonyl-2-[3-(trifluoromethyl)phenyl]aziridine
CID 59485705
(2S)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 71663240
1,3-bis-(4-methylphenyl)sulfonyl-4-phenyl-1,3-diazinane
CID 164682661

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-2-phenylaziridine?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-2-phenylaziridine (CID 576319) is 1-(4-methylphenyl)sulfonyl-2-phenylaziridine.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-2-phenylaziridine?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-2-phenylaziridine is Cc1ccc(S(=O)(=O)N2CC2c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-2-phenylaziridine?
The InChIKey is KUWCTOOXSUPLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-12-7-9-14(10-8-12)19(17,18)16-11-15(16)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-2-phenylaziridine?
1-(4-methylphenyl)sulfonyl-2-phenylaziridine has a molecular weight of 273.36 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-2-phenylaziridine is sourced from PubChem (CID 576319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).