3-methyl-1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]pyrrole

C15H17NO2S — CID 102326547

IUPAC3-methyl-1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]pyrrole
SMILESC/C=C/c1c(C)ccn1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H17NO2S/c1-4-5-15-13(3)10-11-16(15)19(17,18)14-8-6-12(2)7-9-14/h4-11H,1-3H3/b5-4+
InChIKeyTYKKORUYFNCSQV-SNAWJCMRSA-N
MW275.37 g/mol
LogP3.38
Rot. Bonds3

About 3-methyl-1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]pyrrole

3-methyl-1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]pyrrole (PubChem CID 102326547) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 3-methyl-1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]pyrrole.

Molecular Properties

Compound Name3-methyl-1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]pyrrole
PubChem CID102326547
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name3-methyl-1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]pyrrole
SMILESC/C=C/c1c(C)ccn1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H17NO2S/c1-4-5-15-13(3)10-11-16(15)19(17,18)14-8-6-12(2)7-9-14/h4-11H,1-3H3/b5-4+
InChIKeyTYKKORUYFNCSQV-SNAWJCMRSA-N
XLogP3.38
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-1-(4-methylphenyl)sulfonylpyrrole
CID 102326520
3-bromo-1-(4-methylphenyl)sulfonylpyrrole-2-carbaldehyde
CID 15541239
3-bromo-2-[(E)-2-methoxyethenyl]-1-(4-methylphenyl)sulfonylpyrrole
CID 175998187
2-methyl-1-(4-methylphenyl)sulfonylpyrrole
CID 839845
2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110537991
1-(4-methylphenyl)sulfonyl-3-[(E)-prop-1-enyl]-2,5-dihydropyrrole
CID 153475099
4-but-1-en-2-yloxy-1-(4-methylphenyl)sulfonyl-5-prop-1-enylindole
CID 91088165
1-(benzenesulfonyl)-2-[(1E)-2-bromobuta-1,3-dienyl]-3-methylpyrrole
CID 121291836
1-(4-methylphenyl)sulfonylindole-4-carbaldehyde
CID 13115093
(2Z,5Z,8Z)-1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonine
CID 12599640
2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]acetaldehyde
CID 89416848
1-(4-methylphenyl)sulfonyl-4H-pyrrolo[3,2-b]pyridin-5-one
CID 162343729

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]pyrrole?
The IUPAC name of 3-methyl-1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]pyrrole (CID 102326547) is 3-methyl-1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]pyrrole.
What is the SMILES notation for 3-methyl-1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]pyrrole?
The canonical SMILES for 3-methyl-1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]pyrrole is C/C=C/c1c(C)ccn1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 3-methyl-1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]pyrrole?
The InChIKey is TYKKORUYFNCSQV-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-4-5-15-13(3)10-11-16(15)19(17,18)14-8-6-12(2)7-9-14/h4-11H,1-3H3/b5-4+.
What are the key properties of 3-methyl-1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]pyrrole?
3-methyl-1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]pyrrole has a molecular weight of 275.37 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]pyrrole is sourced from PubChem (CID 102326547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).