[(1R,2S,3S)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropyl]methanol

C17H18O4S — CID 124745204

IUPAC[(1R,2S,3S)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropyl]methanol
SMILESCOc1ccc([C@@H]2[C@H](CO)[C@H]2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H18O4S/c1-21-13-9-7-12(8-10-13)16-15(11-18)17(16)22(19,20)14-5-3-2-4-6-14/h2-10,15-18H,11H2,1H3/t15-,16+,17+/m0/s1
InChIKeyDRJFCBRDSOLEIA-GVDBMIGSSA-N
MW318.39 g/mol
LogP2.24
Rot. Bonds5

About [(1R,2S,3S)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropyl]methanol

[(1R,2S,3S)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropyl]methanol (PubChem CID 124745204) has the molecular formula C17H18O4S and a molecular weight of 318.39 g/mol. Its IUPAC name is [(1R,2S,3S)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2S,3S)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropyl]methanol
PubChem CID124745204
Molecular FormulaC17H18O4S
Molecular Weight318.39 g/mol
Exact Mass318.09
IUPAC Name[(1R,2S,3S)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropyl]methanol
SMILESCOc1ccc([C@@H]2[C@H](CO)[C@H]2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H18O4S/c1-21-13-9-7-12(8-10-13)16-15(11-18)17(16)22(19,20)14-5-3-2-4-6-14/h2-10,15-18H,11H2,1H3/t15-,16+,17+/m0/s1
InChIKeyDRJFCBRDSOLEIA-GVDBMIGSSA-N
XLogP2.24
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R,2S,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanol
CID 99722754
2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropan-1-amine
CID 102569327
[(1R,2R,3S)-2-(4-methoxyphenyl)-3-phenylcyclopropyl]methanol
CID 177492101
[(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methoxyphenyl)cyclopropyl]methanamine
CID 124859233
[1-amino-2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropyl]methanol
CID 102569320
[(1R,2R,3S)-1-amino-2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropyl]methanol
CID 124857146
[(1S,2S,3S)-2-ethylsulfonyl-3-phenylcyclopropyl]methanol
CID 124746466
[2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol
CID 102570681
[(1R,2R,3S)-1-(aminomethyl)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropyl]methanol
CID 124746394
[(1S,2R,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanamine
CID 124746264
(1R,2R,3S)-1-(aminomethyl)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropan-1-amine
CID 124748793
(1S,2S,3S)-2-ethylsulfonyl-3-(4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 124858498

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3S)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropyl]methanol?
The IUPAC name of [(1R,2S,3S)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropyl]methanol (CID 124745204) is [(1R,2S,3S)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropyl]methanol.
What is the SMILES notation for [(1R,2S,3S)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropyl]methanol?
The canonical SMILES for [(1R,2S,3S)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropyl]methanol is COc1ccc([C@@H]2[C@H](CO)[C@H]2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of [(1R,2S,3S)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropyl]methanol?
The InChIKey is DRJFCBRDSOLEIA-GVDBMIGSSA-N. The full InChI is InChI=1S/C17H18O4S/c1-21-13-9-7-12(8-10-13)16-15(11-18)17(16)22(19,20)14-5-3-2-4-6-14/h2-10,15-18H,11H2,1H3/t15-,16+,17+/m0/s1.
What are the key properties of [(1R,2S,3S)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropyl]methanol?
[(1R,2S,3S)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropyl]methanol has a molecular weight of 318.39 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3S)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropyl]methanol is sourced from PubChem (CID 124745204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).