2-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylpyrrole

C18H17NO2S2 — CID 102520229

IUPAC2-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylpyrrole
SMILESCc1ccc(Sc2cccn2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H17NO2S2/c1-14-5-9-16(10-6-14)22-18-4-3-13-19(18)23(20,21)17-11-7-15(2)8-12-17/h3-13H,1-2H3
InChIKeyUPDHJLOXSGXJOD-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.49
Rot. Bonds4

About 2-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylpyrrole

2-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylpyrrole (PubChem CID 102520229) has the molecular formula C18H17NO2S2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylpyrrole.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylpyrrole
PubChem CID102520229
Molecular FormulaC18H17NO2S2
Molecular Weight343.47 g/mol
Exact Mass343.07
IUPAC Name2-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylpyrrole
SMILESCc1ccc(Sc2cccn2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H17NO2S2/c1-14-5-9-16(10-6-14)22-18-4-3-13-19(18)23(20,21)17-11-7-15(2)8-12-17/h3-13H,1-2H3
InChIKeyUPDHJLOXSGXJOD-UHFFFAOYSA-N
XLogP4.49
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]sulfanylacetic acid
CID 13167607
2-methyl-1-(4-methylphenyl)sulfonylpyrrole
CID 839845
2-(3-bromopropylsulfanyl)-1-(4-methylphenyl)sulfonylpyrrole
CID 13167603
2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]acetaldehyde
CID 89416848
2,3-dimethyl-1-(4-methylphenyl)sulfonylpyrrole
CID 102326520
1,4-bis-(4-methylphenyl)sulfonyl-1,4-diazocine
CID 12641448
ethyl 1-(4-methylphenyl)sulfonylpyrrole-2-carboxylate
CID 10851265
2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110537991
3,6,9-tris-(4-methylphenyl)sulfonyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonane
CID 12599628
[1-(benzenesulfonyl)pyrrol-2-yl]-(4-methylphenyl)methanone
CID 22928710
2,3-dimethyl-1-(4-methylphenyl)sulfonylaziridine
CID 11218386
(2Z,5Z,8Z)-1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonine
CID 12599640

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylpyrrole?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylpyrrole (CID 102520229) is 2-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylpyrrole.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylpyrrole?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylpyrrole is Cc1ccc(Sc2cccn2S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylpyrrole?
The InChIKey is UPDHJLOXSGXJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S2/c1-14-5-9-16(10-6-14)22-18-4-3-13-19(18)23(20,21)17-11-7-15(2)8-12-17/h3-13H,1-2H3.
What are the key properties of 2-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylpyrrole?
2-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylpyrrole has a molecular weight of 343.47 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylpyrrole is sourced from PubChem (CID 102520229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).