2-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole

C15H17FN2O2S — CID 110873150

IUPAC2-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
SMILESCc1cc(S(=O)(=O)N2CCCC2c2ccc[nH]2)ccc1F
InChIInChI=1S/C15H17FN2O2S/c1-11-10-12(6-7-13(11)16)21(19,20)18-9-3-5-15(18)14-4-2-8-17-14/h2,4,6-8,10,15,17H,3,5,9H2,1H3
InChIKeyPHRCVYHRJNPKOT-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.99
Rot. Bonds3

About 2-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole

2-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole (PubChem CID 110873150) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole.

Molecular Properties

Compound Name2-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
PubChem CID110873150
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name2-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
SMILESCc1cc(S(=O)(=O)N2CCCC2c2ccc[nH]2)ccc1F
InChIInChI=1S/C15H17FN2O2S/c1-11-10-12(6-7-13(11)16)21(19,20)18-9-3-5-15(18)14-4-2-8-17-14/h2,4,6-8,10,15,17H,3,5,9H2,1H3
InChIKeyPHRCVYHRJNPKOT-UHFFFAOYSA-N
XLogP2.99
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 47176211
2-fluoro-4-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline
CID 82845487
5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 110873181
5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 110873172
3-methyl-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline
CID 61116191
4-chloro-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline
CID 61116545
2-[1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 61073789
2-(1-propan-2-ylsulfonylpyrrolidin-2-yl)-1H-pyrrole
CID 61357186
3,5-dimethyl-4-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 94159158
2-[1-(2,4-dibromophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 61073788
2-chloro-4-methyl-5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-thiazole
CID 61046643
(2S)-1-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
CID 51855972

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole?
The IUPAC name of 2-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole (CID 110873150) is 2-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole.
What is the SMILES notation for 2-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole?
The canonical SMILES for 2-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole is Cc1cc(S(=O)(=O)N2CCCC2c2ccc[nH]2)ccc1F.
What is the InChIKey of 2-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole?
The InChIKey is PHRCVYHRJNPKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-11-10-12(6-7-13(11)16)21(19,20)18-9-3-5-15(18)14-4-2-8-17-14/h2,4,6-8,10,15,17H,3,5,9H2,1H3.
What are the key properties of 2-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole?
2-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole has a molecular weight of 308.38 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole is sourced from PubChem (CID 110873150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).