(2S,3R)-2-ethenyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylazetidine

C19H21NO3S — CID 102255866

IUPAC(2S,3R)-2-ethenyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylazetidine
SMILESC=C[C@H]1[C@H](c2ccc(OC)cc2)CN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H21NO3S/c1-4-19-18(15-7-9-16(23-3)10-8-15)13-20(19)24(21,22)17-11-5-14(2)6-12-17/h4-12,18-19H,1,13H2,2-3H3/t18-,19-/m0/s1
InChIKeyYOIFSHLHMMZYOF-OALUTQOASA-N
MW343.45 g/mol
LogP3.35
Rot. Bonds5

About (2S,3R)-2-ethenyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylazetidine

(2S,3R)-2-ethenyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylazetidine (PubChem CID 102255866) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is (2S,3R)-2-ethenyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylazetidine.

Molecular Properties

Compound Name(2S,3R)-2-ethenyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylazetidine
PubChem CID102255866
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name(2S,3R)-2-ethenyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylazetidine
SMILESC=C[C@H]1[C@H](c2ccc(OC)cc2)CN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H21NO3S/c1-4-19-18(15-7-9-16(23-3)10-8-15)13-20(19)24(21,22)17-11-5-14(2)6-12-17/h4-12,18-19H,1,13H2,2-3H3/t18-,19-/m0/s1
InChIKeyYOIFSHLHMMZYOF-OALUTQOASA-N
XLogP3.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R,4S)-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidine
CID 102182418
(2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidine
CID 162399175
(2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-propan-2-ylazetidine
CID 134927481
(2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
CID 1294264
2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 2858670
(2S,4R)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidine
CID 28887671
(2S,5S)-2-(4-methoxyphenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 162407870
(4R,5R)-4-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 101495389
4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 57482552
(2S,4aR,7S,8aS)-1-(benzenesulfonyl)-2-(4-methoxyphenyl)-7-(4-methylphenyl)-6-(4-methylphenyl)sulfonyl-3,4a,5,7,8,8a-hexahydro-2H-1,6-naphthyridin-4-one
CID 140958121
(2R)-4-bromo-3-iodo-2-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 139091569
(2S,3S)-3-ethyl-2-(4-methoxyphenyl)-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine-3-carbonitrile
CID 134947328

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-ethenyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylazetidine?
The IUPAC name of (2S,3R)-2-ethenyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylazetidine (CID 102255866) is (2S,3R)-2-ethenyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylazetidine.
What is the SMILES notation for (2S,3R)-2-ethenyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylazetidine?
The canonical SMILES for (2S,3R)-2-ethenyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylazetidine is C=C[C@H]1[C@H](c2ccc(OC)cc2)CN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (2S,3R)-2-ethenyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylazetidine?
The InChIKey is YOIFSHLHMMZYOF-OALUTQOASA-N. The full InChI is InChI=1S/C19H21NO3S/c1-4-19-18(15-7-9-16(23-3)10-8-15)13-20(19)24(21,22)17-11-5-14(2)6-12-17/h4-12,18-19H,1,13H2,2-3H3/t18-,19-/m0/s1.
What are the key properties of (2S,3R)-2-ethenyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylazetidine?
(2S,3R)-2-ethenyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylazetidine has a molecular weight of 343.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-ethenyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylazetidine is sourced from PubChem (CID 102255866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).