[1-(2-fluorophenyl)pyrrol-3-yl]-(4-methylsulfanylphenyl)methanone

C18H14FNOS — CID 46939835

IUPAC[1-(2-fluorophenyl)pyrrol-3-yl]-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)c2ccn(-c3ccccc3F)c2)cc1
InChIInChI=1S/C18H14FNOS/c1-22-15-8-6-13(7-9-15)18(21)14-10-11-20(12-14)17-5-3-2-4-16(17)19/h2-12H,1H3
InChIKeyIQXAJSQYUYZCDM-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.57
Rot. Bonds4

About [1-(2-fluorophenyl)pyrrol-3-yl]-(4-methylsulfanylphenyl)methanone

[1-(2-fluorophenyl)pyrrol-3-yl]-(4-methylsulfanylphenyl)methanone (PubChem CID 46939835) has the molecular formula C18H14FNOS and a molecular weight of 311.38 g/mol. Its IUPAC name is [1-(2-fluorophenyl)pyrrol-3-yl]-(4-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[1-(2-fluorophenyl)pyrrol-3-yl]-(4-methylsulfanylphenyl)methanone
PubChem CID46939835
Molecular FormulaC18H14FNOS
Molecular Weight311.38 g/mol
Exact Mass311.08
IUPAC Name[1-(2-fluorophenyl)pyrrol-3-yl]-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)c2ccn(-c3ccccc3F)c2)cc1
InChIInChI=1S/C18H14FNOS/c1-22-15-8-6-13(7-9-15)18(21)14-10-11-20(12-14)17-5-3-2-4-16(17)19/h2-12H,1H3
InChIKeyIQXAJSQYUYZCDM-UHFFFAOYSA-N
XLogP4.57
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(2-fluorophenyl)pyrrol-3-yl]benzoic acid
CID 58156697
(2,3-difluorophenyl)-(4-methylsulfanylphenyl)methanone
CID 114973538
(3,5-difluorophenyl)-(4-methylsulfanylphenyl)methanone
CID 2758307
(1-methylpyridin-1-ium-4-yl)-(4-methylsulfanylphenyl)methanone tetrafluoroborate
CID 10925578
(4-chlorophenyl)-(1-phenylpyrrol-3-yl)methanone
CID 5325964
(4-methylsulfanylphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103693773
[4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylsulfanylphenyl)methanone
CID 107288415
(3-fluoro-5-methylphenyl)-(4-methylsulfanylphenyl)methanone
CID 112694116
(4-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanone
CID 112694186
1,4-bis(methylsulfanyl)benzene;methanol
CID 143321779
N-[2-(2,6-difluorophenyl)ethyl]-4-methylsulfanylbenzamide
CID 78892562
fluorobenzene;4-methylsulfanylbenzamide
CID 143044718

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)pyrrol-3-yl]-(4-methylsulfanylphenyl)methanone?
The IUPAC name of [1-(2-fluorophenyl)pyrrol-3-yl]-(4-methylsulfanylphenyl)methanone (CID 46939835) is [1-(2-fluorophenyl)pyrrol-3-yl]-(4-methylsulfanylphenyl)methanone.
What is the SMILES notation for [1-(2-fluorophenyl)pyrrol-3-yl]-(4-methylsulfanylphenyl)methanone?
The canonical SMILES for [1-(2-fluorophenyl)pyrrol-3-yl]-(4-methylsulfanylphenyl)methanone is CSc1ccc(C(=O)c2ccn(-c3ccccc3F)c2)cc1.
What is the InChIKey of [1-(2-fluorophenyl)pyrrol-3-yl]-(4-methylsulfanylphenyl)methanone?
The InChIKey is IQXAJSQYUYZCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNOS/c1-22-15-8-6-13(7-9-15)18(21)14-10-11-20(12-14)17-5-3-2-4-16(17)19/h2-12H,1H3.
What are the key properties of [1-(2-fluorophenyl)pyrrol-3-yl]-(4-methylsulfanylphenyl)methanone?
[1-(2-fluorophenyl)pyrrol-3-yl]-(4-methylsulfanylphenyl)methanone has a molecular weight of 311.38 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)pyrrol-3-yl]-(4-methylsulfanylphenyl)methanone is sourced from PubChem (CID 46939835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).