(2S)-1-(4-chlorophenyl)sulfonyl-2-phenylaziridine

C14H12ClNO2S — CID 7067564

IUPAC(2S)-1-(4-chlorophenyl)sulfonyl-2-phenylaziridine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1C[C@@H]1c1ccccc1
InChIInChI=1S/C14H12ClNO2S/c15-12-6-8-13(9-7-12)19(17,18)16-10-14(16)11-4-2-1-3-5-11/h1-9,14H,10H2/t14-,16?/m1/s1
InChIKeyNWSLSBSZJKJVGX-IURRXHLWSA-N
MW293.78 g/mol
LogP3.09
Rot. Bonds3

About (2S)-1-(4-chlorophenyl)sulfonyl-2-phenylaziridine

(2S)-1-(4-chlorophenyl)sulfonyl-2-phenylaziridine (PubChem CID 7067564) has the molecular formula C14H12ClNO2S and a molecular weight of 293.78 g/mol. Its IUPAC name is (2S)-1-(4-chlorophenyl)sulfonyl-2-phenylaziridine.

Molecular Properties

Compound Name(2S)-1-(4-chlorophenyl)sulfonyl-2-phenylaziridine
PubChem CID7067564
Molecular FormulaC14H12ClNO2S
Molecular Weight293.78 g/mol
Exact Mass293.03
IUPAC Name(2S)-1-(4-chlorophenyl)sulfonyl-2-phenylaziridine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1C[C@@H]1c1ccccc1
InChIInChI=1S/C14H12ClNO2S/c15-12-6-8-13(9-7-12)19(17,18)16-10-14(16)11-4-2-1-3-5-11/h1-9,14H,10H2/t14-,16?/m1/s1
InChIKeyNWSLSBSZJKJVGX-IURRXHLWSA-N
XLogP3.09
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 53.09
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 (2S)-1-(4-chlorophenyl)sulfonyl-2-phenylaziridine?
The IUPAC name of (2S)-1-(4-chlorophenyl)sulfonyl-2-phenylaziridine (CID 7067564) is (2S)-1-(4-chlorophenyl)sulfonyl-2-phenylaziridine.
What is the SMILES notation for (2S)-1-(4-chlorophenyl)sulfonyl-2-phenylaziridine?
The canonical SMILES for (2S)-1-(4-chlorophenyl)sulfonyl-2-phenylaziridine is O=S(=O)(c1ccc(Cl)cc1)N1C[C@@H]1c1ccccc1.
What is the InChIKey of (2S)-1-(4-chlorophenyl)sulfonyl-2-phenylaziridine?
The InChIKey is NWSLSBSZJKJVGX-IURRXHLWSA-N. The full InChI is InChI=1S/C14H12ClNO2S/c15-12-6-8-13(9-7-12)19(17,18)16-10-14(16)11-4-2-1-3-5-11/h1-9,14H,10H2/t14-,16?/m1/s1.
What are the key properties of (2S)-1-(4-chlorophenyl)sulfonyl-2-phenylaziridine?
(2S)-1-(4-chlorophenyl)sulfonyl-2-phenylaziridine has a molecular weight of 293.78 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chlorophenyl)sulfonyl-2-phenylaziridine is sourced from PubChem (CID 7067564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).