1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]sulfonylpyrrolidine

C18H18ClNO2S — CID 126478456

IUPAC1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(/C=C/c2ccc(Cl)cc2)cc1)N1CCCC1
InChIInChI=1S/C18H18ClNO2S/c19-17-9-5-15(6-10-17)3-4-16-7-11-18(12-8-16)23(21,22)20-13-1-2-14-20/h3-12H,1-2,13-14H2/b4-3+
InChIKeyHIVKQFWJXOVYII-ONEGZZNKSA-N
MW347.87 g/mol
LogP4.29
Rot. Bonds4

About 1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]sulfonylpyrrolidine

1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]sulfonylpyrrolidine (PubChem CID 126478456) has the molecular formula C18H18ClNO2S and a molecular weight of 347.87 g/mol. Its IUPAC name is 1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]sulfonylpyrrolidine.

Molecular Properties

Compound Name1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]sulfonylpyrrolidine
PubChem CID126478456
Molecular FormulaC18H18ClNO2S
Molecular Weight347.87 g/mol
Exact Mass347.07
IUPAC Name1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(/C=C/c2ccc(Cl)cc2)cc1)N1CCCC1
InChIInChI=1S/C18H18ClNO2S/c19-17-9-5-15(6-10-17)3-4-16-7-11-18(12-8-16)23(21,22)20-13-1-2-14-20/h3-12H,1-2,13-14H2/b4-3+
InChIKeyHIVKQFWJXOVYII-ONEGZZNKSA-N
XLogP4.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine
CID 969315
1-(4-chlorophenyl)sulfonyl-4-methylsulfonyl-1,4-diazepane
CID 110799587
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-chlorobenzenesulfonamide
CID 19684562
1-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 122529896
(E)-N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide
CID 17195677
1-(4-chlorophenyl)sulfonyl-4-(2,6-dichlorophenyl)sulfonylpiperazine
CID 35934098
1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine
CID 697773
1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)urea
CID 1011433
(2,4-dichlorophenyl)methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate
CID 3642890
4-(azepan-1-ylsulfonyl)-N-[2-[(4-chlorobenzoyl)amino]ethyl]benzamide
CID 34991413
[4-(4-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797074
N-(4-chlorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 71904513

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]sulfonylpyrrolidine?
The IUPAC name of 1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]sulfonylpyrrolidine (CID 126478456) is 1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]sulfonylpyrrolidine.
What is the SMILES notation for 1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]sulfonylpyrrolidine?
The canonical SMILES for 1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]sulfonylpyrrolidine is O=S(=O)(c1ccc(/C=C/c2ccc(Cl)cc2)cc1)N1CCCC1.
What is the InChIKey of 1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]sulfonylpyrrolidine?
The InChIKey is HIVKQFWJXOVYII-ONEGZZNKSA-N. The full InChI is InChI=1S/C18H18ClNO2S/c19-17-9-5-15(6-10-17)3-4-16-7-11-18(12-8-16)23(21,22)20-13-1-2-14-20/h3-12H,1-2,13-14H2/b4-3+.
What are the key properties of 1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]sulfonylpyrrolidine?
1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]sulfonylpyrrolidine has a molecular weight of 347.87 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]sulfonylpyrrolidine is sourced from PubChem (CID 126478456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).