(2S,3S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine

C21H18FNO2S — CID 24764030

IUPAC(2S,3S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine
SMILESCc1ccc(S(=O)(=O)N2[C@@H](c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C21H18FNO2S/c1-15-7-13-19(14-8-15)26(24,25)23-20(16-5-3-2-4-6-16)21(23)17-9-11-18(22)12-10-17/h2-14,20-21H,1H3/t20-,21-,23?/m0/s1
InChIKeyKOWBWDOGNJEODK-MMBKUXRPSA-N
MW367.45 g/mol
LogP4.62
Rot. Bonds4

About (2S,3S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine

(2S,3S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine (PubChem CID 24764030) has the molecular formula C21H18FNO2S and a molecular weight of 367.45 g/mol. Its IUPAC name is (2S,3S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine.

Molecular Properties

Compound Name(2S,3S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine
PubChem CID24764030
Molecular FormulaC21H18FNO2S
Molecular Weight367.45 g/mol
Exact Mass367.10
IUPAC Name(2S,3S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine
SMILESCc1ccc(S(=O)(=O)N2[C@@H](c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C21H18FNO2S/c1-15-7-13-19(14-8-15)26(24,25)23-20(16-5-3-2-4-6-16)21(23)17-9-11-18(22)12-10-17/h2-14,20-21H,1H3/t20-,21-,23?/m0/s1
InChIKeyKOWBWDOGNJEODK-MMBKUXRPSA-N
XLogP4.62
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.62
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

(2S,3R)-1-(4-methylphenyl)sulfonyl-2-(4-nitrophenyl)-3-phenylaziridine
CID 101340781
(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine-2-carbaldehyde
CID 134884122
trimethyl-[(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]silane
CID 15500792
2-(2-ethynylphenyl)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine
CID 139255937
(2R,3R,5S)-1,4-bis-(4-methylphenyl)sulfonyl-2,3,5-triphenylpiperazine
CID 134953521
(2S,5S)-2-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 162407869
[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 22250435
(2R)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 101342795
5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyrrole
CID 101493504
(2S,4R)-3-[(1S)-1-(4-methylphenyl)propyl]-1-(4-methylphenyl)sulfonyl-2,4-diphenylazetidine
CID 46210687
(2S,3S)-N,N-dimethyl-1-(4-methylphenyl)sulfonyl-3-phenylaziridine-2-carboxamide
CID 15326329
(2S,3S)-1-(4-methylphenyl)sulfonyl-2-phenyl-3-[(E)-2-phenylethenyl]aziridine
CID 15252099

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine?
The IUPAC name of (2S,3S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine (CID 24764030) is (2S,3S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine.
What is the SMILES notation for (2S,3S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine?
The canonical SMILES for (2S,3S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine is Cc1ccc(S(=O)(=O)N2[C@@H](c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1.
What is the InChIKey of (2S,3S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine?
The InChIKey is KOWBWDOGNJEODK-MMBKUXRPSA-N. The full InChI is InChI=1S/C21H18FNO2S/c1-15-7-13-19(14-8-15)26(24,25)23-20(16-5-3-2-4-6-16)21(23)17-9-11-18(22)12-10-17/h2-14,20-21H,1H3/t20-,21-,23?/m0/s1.
What are the key properties of (2S,3S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine?
(2S,3S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine has a molecular weight of 367.45 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine is sourced from PubChem (CID 24764030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).