[(1R,2S,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanol

C16H16O3S — CID 99722754

IUPAC[(1R,2S,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanol
SMILESO=S(=O)(c1ccccc1)[C@@H]1[C@@H](CO)[C@@H]1c1ccccc1
InChIInChI=1S/C16H16O3S/c17-11-14-15(12-7-3-1-4-8-12)16(14)20(18,19)13-9-5-2-6-10-13/h1-10,14-17H,11H2/t14-,15-,16+/m0/s1
InChIKeyVOHWGOAMODGVBH-HRCADAONSA-N
MW288.37 g/mol
LogP2.23
Rot. Bonds4

About [(1R,2S,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanol

[(1R,2S,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanol (PubChem CID 99722754) has the molecular formula C16H16O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is [(1R,2S,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2S,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanol
PubChem CID99722754
Molecular FormulaC16H16O3S
Molecular Weight288.37 g/mol
Exact Mass288.08
IUPAC Name[(1R,2S,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanol
SMILESO=S(=O)(c1ccccc1)[C@@H]1[C@@H](CO)[C@@H]1c1ccccc1
InChIInChI=1S/C16H16O3S/c17-11-14-15(12-7-3-1-4-8-12)16(14)20(18,19)13-9-5-2-6-10-13/h1-10,14-17H,11H2/t14-,15-,16+/m0/s1
InChIKeyVOHWGOAMODGVBH-HRCADAONSA-N
XLogP2.23
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,2S,3S)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropyl]methanol
CID 124745204
[(1S,2R,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanamine
CID 124746264
[(1S,2S,3S)-2-ethylsulfonyl-3-phenylcyclopropyl]methanol
CID 124746466
[(1S,2S,3S)-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol
CID 124858397
[2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol
CID 102570681
[(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)cyclopropyl]methanol
CID 124858614
[(1S,2R,3S)-2-(benzenesulfonyl)-3-phenylcyclopropyl]-phenylmethanone
CID 15419338
[(1S,2R,3S)-2-chloro-3-phenylcyclopropyl]methanol
CID 102310526
(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
1-methyl-4-(2-methyl-3-phenylcyclopropyl)sulfonylbenzene
CID 70867631
(1R,2R,3S)-2-(benzenesulfonyl)-3-(4-fluorophenyl)cyclopropan-1-amine
CID 124745711

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanol?
The IUPAC name of [(1R,2S,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanol (CID 99722754) is [(1R,2S,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanol.
What is the SMILES notation for [(1R,2S,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanol?
The canonical SMILES for [(1R,2S,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanol is O=S(=O)(c1ccccc1)[C@@H]1[C@@H](CO)[C@@H]1c1ccccc1.
What is the InChIKey of [(1R,2S,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanol?
The InChIKey is VOHWGOAMODGVBH-HRCADAONSA-N. The full InChI is InChI=1S/C16H16O3S/c17-11-14-15(12-7-3-1-4-8-12)16(14)20(18,19)13-9-5-2-6-10-13/h1-10,14-17H,11H2/t14-,15-,16+/m0/s1.
What are the key properties of [(1R,2S,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanol?
[(1R,2S,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanol has a molecular weight of 288.37 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanol is sourced from PubChem (CID 99722754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).