(3R)-3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyloxaziridine

C14H12ClNO3S — CID 12598044

IUPAC(3R)-3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyloxaziridine
SMILESCc1ccc(S(=O)(=O)N2O[C@@H]2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H12ClNO3S/c1-10-2-8-13(9-3-10)20(17,18)16-14(19-16)11-4-6-12(15)7-5-11/h2-9,14H,1H3/t14-,16?/m1/s1
InChIKeyDHQZKODPLBHXOU-IURRXHLWSA-N
MW309.77 g/mol
LogP3.28
Rot. Bonds3

About (3R)-3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyloxaziridine

(3R)-3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyloxaziridine (PubChem CID 12598044) has the molecular formula C14H12ClNO3S and a molecular weight of 309.77 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyloxaziridine.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyloxaziridine
PubChem CID12598044
Molecular FormulaC14H12ClNO3S
Molecular Weight309.77 g/mol
Exact Mass309.02
IUPAC Name(3R)-3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyloxaziridine
SMILESCc1ccc(S(=O)(=O)N2O[C@@H]2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H12ClNO3S/c1-10-2-8-13(9-3-10)20(17,18)16-14(19-16)11-4-6-12(15)7-5-11/h2-9,14H,1H3/t14-,16?/m1/s1
InChIKeyDHQZKODPLBHXOU-IURRXHLWSA-N
XLogP3.28
TPSA49.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.28
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

2-(4-methylphenyl)sulfonyl-3-phenyloxaziridine
CID 10967742
(3R)-3-(furan-3-yl)-2-(4-methylphenyl)sulfonyloxaziridine
CID 102339369
(3R)-2-(benzenesulfonyl)-3-phenyloxaziridine
CID 10923301
2-(4-chlorophenyl)-4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 122375223
4-(4-chlorophenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369122
5-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 78141035
[4-[2-(benzenesulfonyl)oxaziridin-3-yl]phenyl]-trimethylazanium
CID 19026267
2-[(2R,3R)-3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridin-2-yl]ethynyl-trimethylsilane
CID 10621217
2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydropyridin-4-one
CID 11689079
(2R)-2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1041495
2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 2847064
2-(4-chlorophenyl)-7-methyl-4-(4-methylphenyl)sulfonyl-3,7-dihydro-2H-1,4-oxazepine
CID 44550414

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyloxaziridine?
The IUPAC name of (3R)-3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyloxaziridine (CID 12598044) is (3R)-3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyloxaziridine.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyloxaziridine?
The canonical SMILES for (3R)-3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyloxaziridine is Cc1ccc(S(=O)(=O)N2O[C@@H]2c2ccc(Cl)cc2)cc1.
What is the InChIKey of (3R)-3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyloxaziridine?
The InChIKey is DHQZKODPLBHXOU-IURRXHLWSA-N. The full InChI is InChI=1S/C14H12ClNO3S/c1-10-2-8-13(9-3-10)20(17,18)16-14(19-16)11-4-6-12(15)7-5-11/h2-9,14H,1H3/t14-,16?/m1/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyloxaziridine?
(3R)-3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyloxaziridine has a molecular weight of 309.77 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyloxaziridine is sourced from PubChem (CID 12598044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).