2-(4-methylphenyl)sulfonyl-3-phenyloxaziridine

C14H13NO3S — CID 10967742

IUPAC2-(4-methylphenyl)sulfonyl-3-phenyloxaziridine
SMILESCc1ccc(S(=O)(=O)N2OC2c2ccccc2)cc1
InChIInChI=1S/C14H13NO3S/c1-11-7-9-13(10-8-11)19(16,17)15-14(18-15)12-5-3-2-4-6-12/h2-10,14H,1H3
InChIKeySYTQRZCKINWJKR-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.63
Rot. Bonds3

About 2-(4-methylphenyl)sulfonyl-3-phenyloxaziridine

2-(4-methylphenyl)sulfonyl-3-phenyloxaziridine (PubChem CID 10967742) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyl-3-phenyloxaziridine.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyl-3-phenyloxaziridine
PubChem CID10967742
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name2-(4-methylphenyl)sulfonyl-3-phenyloxaziridine
SMILESCc1ccc(S(=O)(=O)N2OC2c2ccccc2)cc1
InChIInChI=1S/C14H13NO3S/c1-11-7-9-13(10-8-11)19(16,17)15-14(18-15)12-5-3-2-4-6-12/h2-10,14H,1H3
InChIKeySYTQRZCKINWJKR-UHFFFAOYSA-N
XLogP2.63
TPSA49.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-2-(benzenesulfonyl)-3-phenyloxaziridine
CID 10923301
(3R)-3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyloxaziridine
CID 12598044
(3R)-3-(furan-3-yl)-2-(4-methylphenyl)sulfonyloxaziridine
CID 102339369
[4-[2-(benzenesulfonyl)oxaziridin-3-yl]phenyl]-trimethylazanium
CID 19026267
(4R)-4-bromo-5-methyl-2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-oxazolidine
CID 102196509
(2R,4R)-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine
CID 102473250
3-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazinane
CID 46707965
trimethyl-[(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]silane
CID 15500792
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
(R)-[(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]-phenylmethanol
CID 102373671
3,6,9-tris-(4-methylphenyl)sulfonyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonane
CID 12599628
(2S)-2-methyl-1-(4-methylphenyl)sulfonyl-3-phenylaziridine-2-carbaldehyde
CID 58434618

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonyl-3-phenyloxaziridine?
The IUPAC name of 2-(4-methylphenyl)sulfonyl-3-phenyloxaziridine (CID 10967742) is 2-(4-methylphenyl)sulfonyl-3-phenyloxaziridine.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyl-3-phenyloxaziridine?
The canonical SMILES for 2-(4-methylphenyl)sulfonyl-3-phenyloxaziridine is Cc1ccc(S(=O)(=O)N2OC2c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyl-3-phenyloxaziridine?
The InChIKey is SYTQRZCKINWJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-11-7-9-13(10-8-11)19(16,17)15-14(18-15)12-5-3-2-4-6-12/h2-10,14H,1H3.
What are the key properties of 2-(4-methylphenyl)sulfonyl-3-phenyloxaziridine?
2-(4-methylphenyl)sulfonyl-3-phenyloxaziridine has a molecular weight of 275.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonyl-3-phenyloxaziridine is sourced from PubChem (CID 10967742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).