(2R)-1-(4-nitrophenyl)sulfonyl-2-phenylaziridine

C14H12N2O4S — CID 11150856

IUPAC(2R)-1-(4-nitrophenyl)sulfonyl-2-phenylaziridine
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H]2c2ccccc2)cc1
InChIInChI=1S/C14H12N2O4S/c17-16(18)12-6-8-13(9-7-12)21(19,20)15-10-14(15)11-4-2-1-3-5-11/h1-9,14H,10H2/t14-,15?/m0/s1
InChIKeyCODOBECVWICGFR-MLCCFXAWSA-N
MW304.33 g/mol
LogP2.34
Rot. Bonds4

About (2R)-1-(4-nitrophenyl)sulfonyl-2-phenylaziridine

(2R)-1-(4-nitrophenyl)sulfonyl-2-phenylaziridine (PubChem CID 11150856) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is (2R)-1-(4-nitrophenyl)sulfonyl-2-phenylaziridine.

Molecular Properties

Compound Name(2R)-1-(4-nitrophenyl)sulfonyl-2-phenylaziridine
PubChem CID11150856
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC Name(2R)-1-(4-nitrophenyl)sulfonyl-2-phenylaziridine
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H]2c2ccccc2)cc1
InChIInChI=1S/C14H12N2O4S/c17-16(18)12-6-8-13(9-7-12)21(19,20)15-10-14(15)11-4-2-1-3-5-11/h1-9,14H,10H2/t14-,15?/m0/s1
InChIKeyCODOBECVWICGFR-MLCCFXAWSA-N
XLogP2.34
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(benzenesulfonyl)-2-phenylaziridine
CID 576325
(2S)-2-(2-chlorophenyl)-1-(4-nitrophenyl)sulfonylaziridine
CID 71416019
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
(2R)-1-(4-nitrophenyl)sulfonyl-2-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 146469234
[4-(2-phenylaziridin-1-yl)sulfonylphenyl]methanamine
CID 152708985
2,2-dimethyl-1-(4-nitrophenyl)sulfonyl-4-phenylpyrrolidine
CID 156698197
prop-2-enyl (2R,5S)-5-(hydroxymethyl)-4-(4-nitrophenyl)sulfonyl-2-phenylpiperazine-1-carboxylate
CID 162409329
(3R,4R,5R)-4-methyl-1-(4-nitrophenyl)sulfonyl-5-phenylpyrrolidine-3-carbaldehyde
CID 164685178
1-(4-nitrophenyl)sulfonyl-2-(phenoxymethyl)aziridine
CID 54576608
1,4-bis(4-nitrophenyl)-2,5-diphenylpiperazine
CID 101127745
N-[4-(2-phenylaziridin-1-yl)sulfonylphenyl]acetamide
CID 24882129
1-(4-nitrophenyl)sulfonyl-3-phenyl-1-azaspiro[4.4]nonane
CID 122222398

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-nitrophenyl)sulfonyl-2-phenylaziridine?
The IUPAC name of (2R)-1-(4-nitrophenyl)sulfonyl-2-phenylaziridine (CID 11150856) is (2R)-1-(4-nitrophenyl)sulfonyl-2-phenylaziridine.
What is the SMILES notation for (2R)-1-(4-nitrophenyl)sulfonyl-2-phenylaziridine?
The canonical SMILES for (2R)-1-(4-nitrophenyl)sulfonyl-2-phenylaziridine is O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H]2c2ccccc2)cc1.
What is the InChIKey of (2R)-1-(4-nitrophenyl)sulfonyl-2-phenylaziridine?
The InChIKey is CODOBECVWICGFR-MLCCFXAWSA-N. The full InChI is InChI=1S/C14H12N2O4S/c17-16(18)12-6-8-13(9-7-12)21(19,20)15-10-14(15)11-4-2-1-3-5-11/h1-9,14H,10H2/t14-,15?/m0/s1.
What are the key properties of (2R)-1-(4-nitrophenyl)sulfonyl-2-phenylaziridine?
(2R)-1-(4-nitrophenyl)sulfonyl-2-phenylaziridine has a molecular weight of 304.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-nitrophenyl)sulfonyl-2-phenylaziridine is sourced from PubChem (CID 11150856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).