2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine

C15H14ClNO2S — CID 11808983

IUPAC2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine
SMILESCc1ccc(S(=O)(=O)N2CC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H14ClNO2S/c1-11-2-8-14(9-3-11)20(18,19)17-10-15(17)12-4-6-13(16)7-5-12/h2-9,15H,10H2,1H3
InChIKeyVVLIQDBJBRENDS-UHFFFAOYSA-N
MW307.80 g/mol
LogP3.39
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine

2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine (PubChem CID 11808983) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine
PubChem CID11808983
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC Name2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine
SMILESCc1ccc(S(=O)(=O)N2CC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H14ClNO2S/c1-11-2-8-14(9-3-11)20(18,19)17-10-15(17)12-4-6-13(16)7-5-12/h2-9,15H,10H2,1H3
InChIKeyVVLIQDBJBRENDS-UHFFFAOYSA-N
XLogP3.39
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 53.39
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine?
The IUPAC name of 2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine (CID 11808983) is 2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine?
The canonical SMILES for 2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine is Cc1ccc(S(=O)(=O)N2CC2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine?
The InChIKey is VVLIQDBJBRENDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c1-11-2-8-14(9-3-11)20(18,19)17-10-15(17)12-4-6-13(16)7-5-12/h2-9,15H,10H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine?
2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine has a molecular weight of 307.80 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine is sourced from PubChem (CID 11808983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).