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

C15H14ClNO2S — CID 71663240

IUPAC(2S)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine
SMILESCc1ccc(S(=O)(=O)N2C[C@@H]2c2ccccc2Cl)cc1
InChIInChI=1S/C15H14ClNO2S/c1-11-6-8-12(9-7-11)20(18,19)17-10-15(17)13-4-2-3-5-14(13)16/h2-9,15H,10H2,1H3/t15-,17?/m1/s1
InChIKeyBYZHVCNLYFQSQM-LDCVWXEPSA-N
MW307.80 g/mol
LogP3.39
Rot. Bonds3

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

(2S)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine (PubChem CID 71663240) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine
PubChem CID71663240
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC Name(2S)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine
SMILESCc1ccc(S(=O)(=O)N2C[C@@H]2c2ccccc2Cl)cc1
InChIInChI=1S/C15H14ClNO2S/c1-11-6-8-12(9-7-11)20(18,19)17-10-15(17)13-4-2-3-5-14(13)16/h2-9,15H,10H2,1H3/t15-,17?/m1/s1
InChIKeyBYZHVCNLYFQSQM-LDCVWXEPSA-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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Related Compounds

(2R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856371
2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylazepane
CID 53096111
(2S)-2-(2-chlorophenyl)-1-(4-nitrophenyl)sulfonylaziridine
CID 71416019
2-(2-chlorophenyl)-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine
CID 86167152
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
3-(2-chlorophenyl)-4-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrole
CID 54671581
3-(2-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazin-2-one
CID 110657427
(2R)-2-(4-bromophenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 7360494
(2R)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 101342795
1-(benzenesulfonyl)-2-(2-chlorophenyl)azepane
CID 53096134
(2R,3R,5S)-1,4-bis-(4-methylphenyl)sulfonyl-2,3,5-triphenylpiperazine
CID 134953521
2-(2-ethynyl-4-methoxyphenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 139255934

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine?
The IUPAC name of (2S)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine (CID 71663240) is (2S)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine.
What is the SMILES notation for (2S)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine?
The canonical SMILES for (2S)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine is Cc1ccc(S(=O)(=O)N2C[C@@H]2c2ccccc2Cl)cc1.
What is the InChIKey of (2S)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine?
The InChIKey is BYZHVCNLYFQSQM-LDCVWXEPSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c1-11-6-8-12(9-7-11)20(18,19)17-10-15(17)13-4-2-3-5-14(13)16/h2-9,15H,10H2,1H3/t15-,17?/m1/s1.
What are the key properties of (2S)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine?
(2S)-2-(2-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 (2S)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine is sourced from PubChem (CID 71663240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).