3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole

C18H19NO3S — CID 101387033

IUPAC3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
SMILESCOc1cccc(C2=CCN(S(=O)(=O)c3ccc(C)cc3)C2)c1
InChIInChI=1S/C18H19NO3S/c1-14-6-8-18(9-7-14)23(20,21)19-11-10-16(13-19)15-4-3-5-17(12-15)22-2/h3-10,12H,11,13H2,1-2H3
InChIKeyMIDPHCCTJCPCMA-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.09
Rot. Bonds4

About 3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole

3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole (PubChem CID 101387033) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
PubChem CID101387033
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Name3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
SMILESCOc1cccc(C2=CCN(S(=O)(=O)c3ccc(C)cc3)C2)c1
InChIInChI=1S/C18H19NO3S/c1-14-6-8-18(9-7-14)23(20,21)19-11-10-16(13-19)15-4-3-5-17(12-15)22-2/h3-10,12H,11,13H2,1-2H3
InChIKeyMIDPHCCTJCPCMA-UHFFFAOYSA-N
XLogP3.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole?
The IUPAC name of 3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole (CID 101387033) is 3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole?
The canonical SMILES for 3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole is COc1cccc(C2=CCN(S(=O)(=O)c3ccc(C)cc3)C2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole?
The InChIKey is MIDPHCCTJCPCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-14-6-8-18(9-7-14)23(20,21)19-11-10-16(13-19)15-4-3-5-17(12-15)22-2/h3-10,12H,11,13H2,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole?
3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole has a molecular weight of 329.42 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole is sourced from PubChem (CID 101387033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).