2-(2,4-dichlorophenyl)-1-(4-methylphenyl)sulfonyl-3-propylaziridine

C18H19Cl2NO2S — CID 132554336

IUPAC2-(2,4-dichlorophenyl)-1-(4-methylphenyl)sulfonyl-3-propylaziridine
SMILESCCCC1C(c2ccc(Cl)cc2Cl)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H19Cl2NO2S/c1-3-4-17-18(15-10-7-13(19)11-16(15)20)21(17)24(22,23)14-8-5-12(2)6-9-14/h5-11,17-18H,3-4H2,1-2H3
InChIKeyLVUJSTJGBPFXFH-UHFFFAOYSA-N
MW384.33 g/mol
LogP5.22
Rot. Bonds5

About 2-(2,4-dichlorophenyl)-1-(4-methylphenyl)sulfonyl-3-propylaziridine

2-(2,4-dichlorophenyl)-1-(4-methylphenyl)sulfonyl-3-propylaziridine (PubChem CID 132554336) has the molecular formula C18H19Cl2NO2S and a molecular weight of 384.33 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(4-methylphenyl)sulfonyl-3-propylaziridine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(4-methylphenyl)sulfonyl-3-propylaziridine
PubChem CID132554336
Molecular FormulaC18H19Cl2NO2S
Molecular Weight384.33 g/mol
Exact Mass383.05
IUPAC Name2-(2,4-dichlorophenyl)-1-(4-methylphenyl)sulfonyl-3-propylaziridine
SMILESCCCC1C(c2ccc(Cl)cc2Cl)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H19Cl2NO2S/c1-3-4-17-18(15-10-7-13(19)11-16(15)20)21(17)24(22,23)14-8-5-12(2)6-9-14/h5-11,17-18H,3-4H2,1-2H3
InChIKeyLVUJSTJGBPFXFH-UHFFFAOYSA-N
XLogP5.22
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.33
LogP ≤ 55.22
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-Chloro-benzenesulfonyl)-2-phenyl-aziridine
CID 2784017
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methylbenzenesulfonamide
CID 11496252
4-chloro-1-(4-methylphenyl)sulfonyl-6-phenyl-3,6-dihydro-2H-pyridine
CID 44425738
N-benzyl-4-chloro-N-propan-2-ylbenzenesulfonamide
CID 767804
2-(4-Chlorophenyl)-1-(4-methylbenzenesulfonyl)pyrrolidine
CID 11221364
Aziridine, 2-(4-chlorophenyl)-1-[(4-methylphenyl)sulfonyl]-
CID 11808983
N-[(4-chlorophenyl)methyl]-N-(2,3-difluoro-3-methylbutyl)-4-methylbenzenesulfonamide
CID 155932449
N-[(4-chlorophenyl)methyl]-N-(2,3-difluorobutyl)-4-methylbenzenesulfonamide
CID 155932451
N-[(4-chlorophenyl)methyl]-N-(2,3-difluoropropyl)-4-methylbenzenesulfonamide
CID 177852988
(r,s)-1-(4-Chloro-benzenesulfonyl)-2-phenyl-aziridine
CID 7067564
2-Methyl-3-phenyl-1-tosylaziridine
CID 2755305
(2R,3R)-2-methyl-1-(4-methylphenyl)sulfonyl-3-phenylaziridine
CID 7173747

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-(4-methylphenyl)sulfonyl-3-propylaziridine?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(4-methylphenyl)sulfonyl-3-propylaziridine (CID 132554336) is 2-(2,4-dichlorophenyl)-1-(4-methylphenyl)sulfonyl-3-propylaziridine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(4-methylphenyl)sulfonyl-3-propylaziridine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(4-methylphenyl)sulfonyl-3-propylaziridine is CCCC1C(c2ccc(Cl)cc2Cl)N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(4-methylphenyl)sulfonyl-3-propylaziridine?
The InChIKey is LVUJSTJGBPFXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO2S/c1-3-4-17-18(15-10-7-13(19)11-16(15)20)21(17)24(22,23)14-8-5-12(2)6-9-14/h5-11,17-18H,3-4H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(4-methylphenyl)sulfonyl-3-propylaziridine?
2-(2,4-dichlorophenyl)-1-(4-methylphenyl)sulfonyl-3-propylaziridine has a molecular weight of 384.33 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-(4-methylphenyl)sulfonyl-3-propylaziridine is sourced from PubChem (CID 132554336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).