3-[(4-fluorophenyl)methyl]-4-methyl-1-(4-methylphenyl)sulfonylpyrrole

C19H18FNO2S — CID 175313692

IUPAC3-[(4-fluorophenyl)methyl]-4-methyl-1-(4-methylphenyl)sulfonylpyrrole
SMILESCc1ccc(S(=O)(=O)n2cc(C)c(Cc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C19H18FNO2S/c1-14-3-9-19(10-4-14)24(22,23)21-12-15(2)17(13-21)11-16-5-7-18(20)8-6-16/h3-10,12-13H,11H2,1-2H3
InChIKeyHHPKLEZTAWFWLN-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.07
Rot. Bonds4

About 3-[(4-fluorophenyl)methyl]-4-methyl-1-(4-methylphenyl)sulfonylpyrrole

3-[(4-fluorophenyl)methyl]-4-methyl-1-(4-methylphenyl)sulfonylpyrrole (PubChem CID 175313692) has the molecular formula C19H18FNO2S and a molecular weight of 343.42 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-4-methyl-1-(4-methylphenyl)sulfonylpyrrole.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-4-methyl-1-(4-methylphenyl)sulfonylpyrrole
PubChem CID175313692
Molecular FormulaC19H18FNO2S
Molecular Weight343.42 g/mol
Exact Mass343.10
IUPAC Name3-[(4-fluorophenyl)methyl]-4-methyl-1-(4-methylphenyl)sulfonylpyrrole
SMILESCc1ccc(S(=O)(=O)n2cc(C)c(Cc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C19H18FNO2S/c1-14-3-9-19(10-4-14)24(22,23)21-12-15(2)17(13-21)11-16-5-7-18(20)8-6-16/h3-10,12-13H,11H2,1-2H3
InChIKeyHHPKLEZTAWFWLN-UHFFFAOYSA-N
XLogP4.07
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[(4-methylphenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrole
CID 175313676
[4-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpyrrol-3-yl]methanol
CID 23082148
4-methyl-1-(4-methylphenyl)sulfonylpyrrole-3-carbaldehyde
CID 102335687
1-[1-(4-methylphenyl)sulfonyl-4-(2-oxopropyl)pyrrol-3-yl]propan-2-one
CID 71680984
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 9326847
4-[1-(benzenesulfonyl)-4-[(4-fluorophenyl)methyl]pyrrole-3-carbonyl]-1-methylpyrrolidine-2,3-dione
CID 123359051
1-[2-(4-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
CID 110290651
3-ethyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrole
CID 102126932
3-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine
CID 134960206
(2S,3S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine
CID 24764030
4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyltriazole
CID 71623276
1-(4-methylphenyl)sulfonylpyrrole-3-sulfonyl chloride
CID 86232436

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-4-methyl-1-(4-methylphenyl)sulfonylpyrrole?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-4-methyl-1-(4-methylphenyl)sulfonylpyrrole (CID 175313692) is 3-[(4-fluorophenyl)methyl]-4-methyl-1-(4-methylphenyl)sulfonylpyrrole.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-4-methyl-1-(4-methylphenyl)sulfonylpyrrole?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-4-methyl-1-(4-methylphenyl)sulfonylpyrrole is Cc1ccc(S(=O)(=O)n2cc(C)c(Cc3ccc(F)cc3)c2)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-4-methyl-1-(4-methylphenyl)sulfonylpyrrole?
The InChIKey is HHPKLEZTAWFWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2S/c1-14-3-9-19(10-4-14)24(22,23)21-12-15(2)17(13-21)11-16-5-7-18(20)8-6-16/h3-10,12-13H,11H2,1-2H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-4-methyl-1-(4-methylphenyl)sulfonylpyrrole?
3-[(4-fluorophenyl)methyl]-4-methyl-1-(4-methylphenyl)sulfonylpyrrole has a molecular weight of 343.42 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-4-methyl-1-(4-methylphenyl)sulfonylpyrrole is sourced from PubChem (CID 175313692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).