4-fluoro-2-methyl-1-[2-(4-methylsulfonylphenyl)cyclopentyl]benzene

C19H21FO2S — CID 139930485

IUPAC4-fluoro-2-methyl-1-[2-(4-methylsulfonylphenyl)cyclopentyl]benzene
SMILESCc1cc(F)ccc1C1CCCC1c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H21FO2S/c1-13-12-15(20)8-11-17(13)19-5-3-4-18(19)14-6-9-16(10-7-14)23(2,21)22/h6-12,18-19H,3-5H2,1-2H3
InChIKeyPUSRDWNDWAIQFU-UHFFFAOYSA-N
MW332.44 g/mol
LogP4.59
Rot. Bonds3

About 4-fluoro-2-methyl-1-[2-(4-methylsulfonylphenyl)cyclopentyl]benzene

4-fluoro-2-methyl-1-[2-(4-methylsulfonylphenyl)cyclopentyl]benzene (PubChem CID 139930485) has the molecular formula C19H21FO2S and a molecular weight of 332.44 g/mol. Its IUPAC name is 4-fluoro-2-methyl-1-[2-(4-methylsulfonylphenyl)cyclopentyl]benzene.

Molecular Properties

Compound Name4-fluoro-2-methyl-1-[2-(4-methylsulfonylphenyl)cyclopentyl]benzene
PubChem CID139930485
Molecular FormulaC19H21FO2S
Molecular Weight332.44 g/mol
Exact Mass332.12
IUPAC Name4-fluoro-2-methyl-1-[2-(4-methylsulfonylphenyl)cyclopentyl]benzene
SMILESCc1cc(F)ccc1C1CCCC1c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H21FO2S/c1-13-12-15(20)8-11-17(13)19-5-3-4-18(19)14-6-9-16(10-7-14)23(2,21)22/h6-12,18-19H,3-5H2,1-2H3
InChIKeyPUSRDWNDWAIQFU-UHFFFAOYSA-N
XLogP4.59
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoro-2-methylphenyl)cyclopentan-1-ol
CID 62790245
2-(4-fluoro-2-methylphenyl)cyclohexan-1-amine
CID 62801431
N-[[2-(4-fluoro-2-methylphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81032761
cis-(1R,2S)-2-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 94361039
1-[(1S,2S)-2-cyclohexylcyclopropyl]-4-methylsulfonylbenzene
CID 70255200
(3S)-2-(4-fluorophenyl)-5-methyl-3-(4-methylsulfonylphenyl)-3,4-dihydropyrazole
CID 44632375
N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-methyl-5-methylsulfonylbenzamide
CID 51481709
[(1R,3S)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl] methanesulfonate
CID 125481391
1-(4,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzene
CID 177192416
4-(4-fluoro-2-methylphenyl)-3-methylpiperidine
CID 66277962
1-[2-(4-methylsulfonylphenyl)cyclopropyl]-4-(trifluoromethyl)benzene
CID 91052710
6-(4-fluoro-2-methylphenyl)piperidine-2-carboxylic acid
CID 112574456

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-1-[2-(4-methylsulfonylphenyl)cyclopentyl]benzene?
The IUPAC name of 4-fluoro-2-methyl-1-[2-(4-methylsulfonylphenyl)cyclopentyl]benzene (CID 139930485) is 4-fluoro-2-methyl-1-[2-(4-methylsulfonylphenyl)cyclopentyl]benzene.
What is the SMILES notation for 4-fluoro-2-methyl-1-[2-(4-methylsulfonylphenyl)cyclopentyl]benzene?
The canonical SMILES for 4-fluoro-2-methyl-1-[2-(4-methylsulfonylphenyl)cyclopentyl]benzene is Cc1cc(F)ccc1C1CCCC1c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 4-fluoro-2-methyl-1-[2-(4-methylsulfonylphenyl)cyclopentyl]benzene?
The InChIKey is PUSRDWNDWAIQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FO2S/c1-13-12-15(20)8-11-17(13)19-5-3-4-18(19)14-6-9-16(10-7-14)23(2,21)22/h6-12,18-19H,3-5H2,1-2H3.
What are the key properties of 4-fluoro-2-methyl-1-[2-(4-methylsulfonylphenyl)cyclopentyl]benzene?
4-fluoro-2-methyl-1-[2-(4-methylsulfonylphenyl)cyclopentyl]benzene has a molecular weight of 332.44 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-1-[2-(4-methylsulfonylphenyl)cyclopentyl]benzene is sourced from PubChem (CID 139930485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).