2-(benzenesulfonyl)-3-(4-chlorophenyl)-1-phenylaziridine

C20H16ClNO2S — CID 13257412

IUPAC2-(benzenesulfonyl)-3-(4-chlorophenyl)-1-phenylaziridine
SMILESO=S(=O)(c1ccccc1)C1C(c2ccc(Cl)cc2)N1c1ccccc1
InChIInChI=1S/C20H16ClNO2S/c21-16-13-11-15(12-14-16)19-20(22(19)17-7-3-1-4-8-17)25(23,24)18-9-5-2-6-10-18/h1-14,19-20H
InChIKeyFWZBQWDWYLFMOE-UHFFFAOYSA-N
MW369.87 g/mol
LogP4.70
Rot. Bonds4

About 2-(benzenesulfonyl)-3-(4-chlorophenyl)-1-phenylaziridine

2-(benzenesulfonyl)-3-(4-chlorophenyl)-1-phenylaziridine (PubChem CID 13257412) has the molecular formula C20H16ClNO2S and a molecular weight of 369.87 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-3-(4-chlorophenyl)-1-phenylaziridine.

Molecular Properties

Compound Name2-(benzenesulfonyl)-3-(4-chlorophenyl)-1-phenylaziridine
PubChem CID13257412
Molecular FormulaC20H16ClNO2S
Molecular Weight369.87 g/mol
Exact Mass369.06
IUPAC Name2-(benzenesulfonyl)-3-(4-chlorophenyl)-1-phenylaziridine
SMILESO=S(=O)(c1ccccc1)C1C(c2ccc(Cl)cc2)N1c1ccccc1
InChIInChI=1S/C20H16ClNO2S/c21-16-13-11-15(12-14-16)19-20(22(19)17-7-3-1-4-8-17)25(23,24)18-9-5-2-6-10-18/h1-14,19-20H
InChIKeyFWZBQWDWYLFMOE-UHFFFAOYSA-N
XLogP4.70
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 54.70
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

[(4S,5R)-2-amino-4-(4-chlorophenyl)-3-phenyl-1,3-thiazolidin-5-yl]-phenylmethanone
CID 100992560
(1R,3R,4R)-3-(4-chlorophenyl)-2-phenyl-2-azabicyclo[2.2.2]octan-5-one
CID 11404162
(3S,4R)-4-(4-chlorophenyl)-1,3-diphenylazetidin-2-one
CID 71385795
1-(benzenesulfonyl)-3-(4-chlorophenyl)sulfonylazetidine
CID 90595145
3-(benzenesulfonyl)-8-(4-chlorophenyl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 90591648
1,3-dichloro-2-(4-chlorophenyl)sulfonylbenzene
CID 101290802
(4S)-3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-1-methyl-4-phenylpyrazolidine
CID 142664123
[4-[(3R,3aR,6aR)-5-(4-chlorophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] benzenesulfonate
CID 98380721
1-[bis(benzenesulfonyl)methylsulfonyl]-4-chlorobenzene
CID 18790965
(2R,3R)-2-(4-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
CID 16731773
(3S,3aR,6aR)-3-(4-chlorophenyl)-2,5-diphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 7441422
(2S,3R)-1-(benzenesulfonyl)-4-(4-chlorophenyl)-3-(4-methylphenyl)-5-oxopiperazine-2-carboxylic acid
CID 134851820

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-3-(4-chlorophenyl)-1-phenylaziridine?
The IUPAC name of 2-(benzenesulfonyl)-3-(4-chlorophenyl)-1-phenylaziridine (CID 13257412) is 2-(benzenesulfonyl)-3-(4-chlorophenyl)-1-phenylaziridine.
What is the SMILES notation for 2-(benzenesulfonyl)-3-(4-chlorophenyl)-1-phenylaziridine?
The canonical SMILES for 2-(benzenesulfonyl)-3-(4-chlorophenyl)-1-phenylaziridine is O=S(=O)(c1ccccc1)C1C(c2ccc(Cl)cc2)N1c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-3-(4-chlorophenyl)-1-phenylaziridine?
The InChIKey is FWZBQWDWYLFMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO2S/c21-16-13-11-15(12-14-16)19-20(22(19)17-7-3-1-4-8-17)25(23,24)18-9-5-2-6-10-18/h1-14,19-20H.
What are the key properties of 2-(benzenesulfonyl)-3-(4-chlorophenyl)-1-phenylaziridine?
2-(benzenesulfonyl)-3-(4-chlorophenyl)-1-phenylaziridine has a molecular weight of 369.87 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-3-(4-chlorophenyl)-1-phenylaziridine is sourced from PubChem (CID 13257412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).