3-(4-methylphenyl)sulfonyl-1,4-diphenylpyrrole

C23H19NO2S — CID 14006843

IUPAC3-(4-methylphenyl)sulfonyl-1,4-diphenylpyrrole
SMILESCc1ccc(S(=O)(=O)c2cn(-c3ccccc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C23H19NO2S/c1-18-12-14-21(15-13-18)27(25,26)23-17-24(20-10-6-3-7-11-20)16-22(23)19-8-4-2-5-9-19/h2-17H,1H3
InChIKeyQYPUVBQTAYNJAB-UHFFFAOYSA-N
MW373.48 g/mol
LogP5.29
Rot. Bonds4

About 3-(4-methylphenyl)sulfonyl-1,4-diphenylpyrrole

3-(4-methylphenyl)sulfonyl-1,4-diphenylpyrrole (PubChem CID 14006843) has the molecular formula C23H19NO2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyl-1,4-diphenylpyrrole.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonyl-1,4-diphenylpyrrole
PubChem CID14006843
Molecular FormulaC23H19NO2S
Molecular Weight373.48 g/mol
Exact Mass373.11
IUPAC Name3-(4-methylphenyl)sulfonyl-1,4-diphenylpyrrole
SMILESCc1ccc(S(=O)(=O)c2cn(-c3ccccc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C23H19NO2S/c1-18-12-14-21(15-13-18)27(25,26)23-17-24(20-10-6-3-7-11-20)16-22(23)19-8-4-2-5-9-19/h2-17H,1H3
InChIKeyQYPUVBQTAYNJAB-UHFFFAOYSA-N
XLogP5.29
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.48
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)sulfonyl-4-phenyl-1-[4-(4-phenylphenyl)phenyl]benzene
CID 102599504
2-(4-methylphenyl)sulfonyl-1,4-diphenylbenzene
CID 102599502
1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721
1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene
CID 176904491
2-(4-methylphenyl)sulfonylbenzenesulfonate
CID 22251002
2-(4-methylphenyl)sulfonylphenol
CID 10879464
3-(4-methoxyphenyl)-1,4-diphenylpyrrole
CID 102125603
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158182934
1-methyl-4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]phenyl]benzene;1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]benzene;1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]benzene
CID 161103806
1,3-bis(benzenesulfonyl)-5-(4-methylphenyl)sulfonylbenzene
CID 147906437
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonyl-1,4-diphenylpyrrole?
The IUPAC name of 3-(4-methylphenyl)sulfonyl-1,4-diphenylpyrrole (CID 14006843) is 3-(4-methylphenyl)sulfonyl-1,4-diphenylpyrrole.
What is the SMILES notation for 3-(4-methylphenyl)sulfonyl-1,4-diphenylpyrrole?
The canonical SMILES for 3-(4-methylphenyl)sulfonyl-1,4-diphenylpyrrole is Cc1ccc(S(=O)(=O)c2cn(-c3ccccc3)cc2-c2ccccc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonyl-1,4-diphenylpyrrole?
The InChIKey is QYPUVBQTAYNJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2S/c1-18-12-14-21(15-13-18)27(25,26)23-17-24(20-10-6-3-7-11-20)16-22(23)19-8-4-2-5-9-19/h2-17H,1H3.
What are the key properties of 3-(4-methylphenyl)sulfonyl-1,4-diphenylpyrrole?
3-(4-methylphenyl)sulfonyl-1,4-diphenylpyrrole has a molecular weight of 373.48 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonyl-1,4-diphenylpyrrole is sourced from PubChem (CID 14006843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).