[2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol

C17H17FO3S — CID 102570681

IUPAC[2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol
SMILESCc1ccc(S(=O)(=O)C2C(CO)C2c2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FO3S/c1-11-2-8-14(9-3-11)22(20,21)17-15(10-19)16(17)12-4-6-13(18)7-5-12/h2-9,15-17,19H,10H2,1H3
InChIKeySVXIUGWFYGUGTA-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.68
Rot. Bonds4

About [2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol

[2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol (PubChem CID 102570681) has the molecular formula C17H17FO3S and a molecular weight of 320.39 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol
PubChem CID102570681
Molecular FormulaC17H17FO3S
Molecular Weight320.39 g/mol
Exact Mass320.09
IUPAC Name[2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol
SMILESCc1ccc(S(=O)(=O)C2C(CO)C2c2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FO3S/c1-11-2-8-14(9-3-11)22(20,21)17-15(10-19)16(17)12-4-6-13(18)7-5-12/h2-9,15-17,19H,10H2,1H3
InChIKeySVXIUGWFYGUGTA-UHFFFAOYSA-N
XLogP2.68
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,2S,3S)-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol
CID 124858397
[(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)cyclopropyl]methanol
CID 124858614
[(1S,2S,3S)-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine
CID 124858189
[(1R,2S,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanol
CID 99722754
[(1R,2S,3S)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropyl]methanol
CID 124745204
(1S,2S,3S)-2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carbaldehyde
CID 124745935
(1S,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)cyclopropane-1-carbaldehyde
CID 124858670
[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 22250435
(1S,2S,3S)-2-(benzenesulfonyl)-3-(4-fluorophenyl)cyclopropane-1-carbaldehyde
CID 124675771
(1R,2S,3S)-2-(benzenesulfonyl)-3-(4-fluorophenyl)cyclopropane-1-carbaldehyde
CID 129413121
2-(3-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carboxylic acid
CID 102570368
1-methyl-4-(2-methyl-3-phenylcyclopropyl)sulfonylbenzene
CID 70867631

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol?
The IUPAC name of [2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol (CID 102570681) is [2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol.
What is the SMILES notation for [2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol?
The canonical SMILES for [2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol is Cc1ccc(S(=O)(=O)C2C(CO)C2c2ccc(F)cc2)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol?
The InChIKey is SVXIUGWFYGUGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3S/c1-11-2-8-14(9-3-11)22(20,21)17-15(10-19)16(17)12-4-6-13(18)7-5-12/h2-9,15-17,19H,10H2,1H3.
What are the key properties of [2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol?
[2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol has a molecular weight of 320.39 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol is sourced from PubChem (CID 102570681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).