1-(4-methylphenyl)sulfonyl-3-[(E)-prop-1-enyl]-2,5-dihydropyrrole

C14H17NO2S — CID 153475099

IUPAC1-(4-methylphenyl)sulfonyl-3-[(E)-prop-1-enyl]-2,5-dihydropyrrole
SMILESC/C=C/C1=CCN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C14H17NO2S/c1-3-4-13-9-10-15(11-13)18(16,17)14-7-5-12(2)6-8-14/h3-9H,10-11H2,1-2H3/b4-3+
InChIKeyIYNSIJMIBPCIQM-ONEGZZNKSA-N
MW263.36 g/mol
LogP2.50
Rot. Bonds3

About 1-(4-methylphenyl)sulfonyl-3-[(E)-prop-1-enyl]-2,5-dihydropyrrole

1-(4-methylphenyl)sulfonyl-3-[(E)-prop-1-enyl]-2,5-dihydropyrrole (PubChem CID 153475099) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-3-[(E)-prop-1-enyl]-2,5-dihydropyrrole.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-3-[(E)-prop-1-enyl]-2,5-dihydropyrrole
PubChem CID153475099
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name1-(4-methylphenyl)sulfonyl-3-[(E)-prop-1-enyl]-2,5-dihydropyrrole
SMILESC/C=C/C1=CCN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C14H17NO2S/c1-3-4-13-9-10-15(11-13)18(16,17)14-7-5-12(2)6-8-14/h3-9H,10-11H2,1-2H3/b4-3+
InChIKeyIYNSIJMIBPCIQM-ONEGZZNKSA-N
XLogP2.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 135054306
3-(4-methylphenyl)sulfonyl-3-azabicyclo[4.2.0]octa-1(8),5-diene
CID 134866059
3-(3-methylbut-2-en-2-yl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 101172518
3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 86224949
1-(4-fluorophenyl)sulfonyl-2,5-dihydropyrrole-3-carbaldehyde
CID 138546884
trimethyl-[(1S,2S)-2-[1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]cyclopropyl]silane
CID 101388735
3-methyl-4-[4-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 102578903
3,5-dimethylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 14174967
(3Z,7Z)-1-(4-methylphenyl)sulfonyl-2,5,6,9-tetrahydroazonine
CID 101406646
5-methyl-1-(4-methylphenyl)sulfonyl-2,7-dihydroazepin-4-ol
CID 177402048
4-ethylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 44723360
1-(4-methylphenyl)sulfonyl-4-phenyl-2,6-dihydropyridin-3-one
CID 102280475

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-3-[(E)-prop-1-enyl]-2,5-dihydropyrrole?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-3-[(E)-prop-1-enyl]-2,5-dihydropyrrole (CID 153475099) is 1-(4-methylphenyl)sulfonyl-3-[(E)-prop-1-enyl]-2,5-dihydropyrrole.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-3-[(E)-prop-1-enyl]-2,5-dihydropyrrole?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-3-[(E)-prop-1-enyl]-2,5-dihydropyrrole is C/C=C/C1=CCN(S(=O)(=O)c2ccc(C)cc2)C1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-3-[(E)-prop-1-enyl]-2,5-dihydropyrrole?
The InChIKey is IYNSIJMIBPCIQM-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-3-4-13-9-10-15(11-13)18(16,17)14-7-5-12(2)6-8-14/h3-9H,10-11H2,1-2H3/b4-3+.
What are the key properties of 1-(4-methylphenyl)sulfonyl-3-[(E)-prop-1-enyl]-2,5-dihydropyrrole?
1-(4-methylphenyl)sulfonyl-3-[(E)-prop-1-enyl]-2,5-dihydropyrrole has a molecular weight of 263.36 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-3-[(E)-prop-1-enyl]-2,5-dihydropyrrole is sourced from PubChem (CID 153475099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).