2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-3-methylaziridine

C17H19NO4S — CID 87816621

IUPAC2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-3-methylaziridine
SMILESCOc1ccc(C2(S(=O)(=O)c3ccc(OC)cc3)NC2C)cc1
InChIInChI=1S/C17H19NO4S/c1-12-17(18-12,13-4-6-14(21-2)7-5-13)23(19,20)16-10-8-15(22-3)9-11-16/h4-12,18H,1-3H3
InChIKeyMYLWRZWIMGXGDI-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.32
Rot. Bonds5

About 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-3-methylaziridine

2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-3-methylaziridine (PubChem CID 87816621) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-3-methylaziridine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-3-methylaziridine
PubChem CID87816621
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-3-methylaziridine
SMILESCOc1ccc(C2(S(=O)(=O)c3ccc(OC)cc3)NC2C)cc1
InChIInChI=1S/C17H19NO4S/c1-12-17(18-12,13-4-6-14(21-2)7-5-13)23(19,20)16-10-8-15(22-3)9-11-16/h4-12,18H,1-3H3
InChIKeyMYLWRZWIMGXGDI-UHFFFAOYSA-N
XLogP2.32
TPSA74.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
4-methoxybenzenesulfonyl iodide
CID 23080708
1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)cyclopropyl]benzene
CID 12846256
dihydroxy-(4-methoxyphenyl)-oxido-λ4-sulfane
CID 91517981
(2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
CID 1294264
4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 101075407
hydroxy-(4-methoxyphenyl)-oxo-sulfanylidene-lambda6-sulfane
CID 6912594
1-methoxy-4-[1-(4-methoxyphenyl)-2-methylidenecyclopropyl]benzene
CID 13355231
potassium;hydride;4-methoxybenzenesulfonamide
CID 173359933
1-(4-ethoxyphenyl)sulfonyl-4-methoxybenzene
CID 59120135
(4-methoxyphenyl) 2-[3-(4-methylphenyl)sulfonyl-1-bicyclo[1.1.1]pentanyl]acetate
CID 162398283
1-(4-methoxyphenyl)sulfonyl-3-propan-2-ylcyclobutane-1-carbonitrile
CID 65017385

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-3-methylaziridine?
The IUPAC name of 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-3-methylaziridine (CID 87816621) is 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-3-methylaziridine.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-3-methylaziridine?
The canonical SMILES for 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-3-methylaziridine is COc1ccc(C2(S(=O)(=O)c3ccc(OC)cc3)NC2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-3-methylaziridine?
The InChIKey is MYLWRZWIMGXGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-12-17(18-12,13-4-6-14(21-2)7-5-13)23(19,20)16-10-8-15(22-3)9-11-16/h4-12,18H,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-3-methylaziridine?
2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-3-methylaziridine has a molecular weight of 333.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-3-methylaziridine is sourced from PubChem (CID 87816621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).