1-(benzenesulfonyl)-2-phenylaziridine

C14H13NO2S — CID 576325

IUPAC1-(benzenesulfonyl)-2-phenylaziridine
SMILESO=S(=O)(c1ccccc1)N1CC1c1ccccc1
InChIInChI=1S/C14H13NO2S/c16-18(17,13-9-5-2-6-10-13)15-11-14(15)12-7-3-1-4-8-12/h1-10,14H,11H2
InChIKeyFSAFBQPXLUMRDP-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.43
Rot. Bonds3

About 1-(benzenesulfonyl)-2-phenylaziridine

1-(benzenesulfonyl)-2-phenylaziridine (PubChem CID 576325) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-phenylaziridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-phenylaziridine
PubChem CID576325
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name1-(benzenesulfonyl)-2-phenylaziridine
SMILESO=S(=O)(c1ccccc1)N1CC1c1ccccc1
InChIInChI=1S/C14H13NO2S/c16-18(17,13-9-5-2-6-10-13)15-11-14(15)12-7-3-1-4-8-12/h1-10,14H,11H2
InChIKeyFSAFBQPXLUMRDP-UHFFFAOYSA-N
XLogP2.43
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.43
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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Related Compounds

1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
[4-(2-phenylaziridin-1-yl)sulfonylphenyl]methanamine
CID 152708985
(2R)-1-(4-nitrophenyl)sulfonyl-2-phenylaziridine
CID 11150856
N-[4-(2-phenylaziridin-1-yl)sulfonylphenyl]acetamide
CID 24882129
(2R,3R,5S)-1,4-bis-(4-methylphenyl)sulfonyl-2,3,5-triphenylpiperazine
CID 134953521
2,5-diphenyl-1,4-bis(trifluoromethylsulfonyl)piperazine
CID 53305234
(2R)-1-(benzenesulfonyl)-2-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 146469236
(2R)-1-(benzenesulfonyl)-2-ethylaziridine
CID 22957230
(2S)-1-(benzenesulfonyl)-2-(chloromethyl)aziridine
CID 7368706
(2R)-2-(4-bromophenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 7360494
(2R)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 101342795
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-phenylaziridine?
The IUPAC name of 1-(benzenesulfonyl)-2-phenylaziridine (CID 576325) is 1-(benzenesulfonyl)-2-phenylaziridine.
What is the SMILES notation for 1-(benzenesulfonyl)-2-phenylaziridine?
The canonical SMILES for 1-(benzenesulfonyl)-2-phenylaziridine is O=S(=O)(c1ccccc1)N1CC1c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-2-phenylaziridine?
The InChIKey is FSAFBQPXLUMRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c16-18(17,13-9-5-2-6-10-13)15-11-14(15)12-7-3-1-4-8-12/h1-10,14H,11H2.
What are the key properties of 1-(benzenesulfonyl)-2-phenylaziridine?
1-(benzenesulfonyl)-2-phenylaziridine has a molecular weight of 259.33 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-phenylaziridine is sourced from PubChem (CID 576325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).