[(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)cyclopropyl]methanol

C17H17ClO3S — CID 124858614

IUPAC[(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)cyclopropyl]methanol
SMILESCc1ccc([C@@H]2[C@H](CO)[C@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClO3S/c1-11-2-4-12(5-3-11)16-15(10-19)17(16)22(20,21)14-8-6-13(18)7-9-14/h2-9,15-17,19H,10H2,1H3/t15-,16+,17+/m0/s1
InChIKeyQCRQJZKPKPVVKI-GVDBMIGSSA-N
MW336.84 g/mol
LogP3.20
Rot. Bonds4

About [(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)cyclopropyl]methanol

[(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)cyclopropyl]methanol (PubChem CID 124858614) has the molecular formula C17H17ClO3S and a molecular weight of 336.84 g/mol. Its IUPAC name is [(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)cyclopropyl]methanol
PubChem CID124858614
Molecular FormulaC17H17ClO3S
Molecular Weight336.84 g/mol
Exact Mass336.06
IUPAC Name[(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)cyclopropyl]methanol
SMILESCc1ccc([C@@H]2[C@H](CO)[C@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClO3S/c1-11-2-4-12(5-3-11)16-15(10-19)17(16)22(20,21)14-8-6-13(18)7-9-14/h2-9,15-17,19H,10H2,1H3/t15-,16+,17+/m0/s1
InChIKeyQCRQJZKPKPVVKI-GVDBMIGSSA-N
XLogP3.20
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 53.20
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
[2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol
CID 102570681
(1S,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)cyclopropane-1-carbaldehyde
CID 124858670
(1S,2S,3S)-2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carbaldehyde
CID 124745935
[(1S,2S,3S)-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine
CID 124858189
(1S,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)cyclopropane-1-carbothioamide
CID 124858872
[(1R,2S,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanol
CID 99722754
[(1R,2R,3S)-1-amino-2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)cyclopropyl]methanol
CID 124859398
[(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methoxyphenyl)cyclopropyl]methanamine
CID 124859233
[(1R,2S,3S)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropyl]methanol
CID 124745204
2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropan-1-amine
CID 102570777
[(1R,2R,3S)-1-(aminomethyl)-2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)cyclopropyl]methanol
CID 124745800

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)cyclopropyl]methanol?
The IUPAC name of [(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)cyclopropyl]methanol (CID 124858614) is [(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)cyclopropyl]methanol.
What is the SMILES notation for [(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)cyclopropyl]methanol?
The canonical SMILES for [(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)cyclopropyl]methanol is Cc1ccc([C@@H]2[C@H](CO)[C@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of [(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)cyclopropyl]methanol?
The InChIKey is QCRQJZKPKPVVKI-GVDBMIGSSA-N. The full InChI is InChI=1S/C17H17ClO3S/c1-11-2-4-12(5-3-11)16-15(10-19)17(16)22(20,21)14-8-6-13(18)7-9-14/h2-9,15-17,19H,10H2,1H3/t15-,16+,17+/m0/s1.
What are the key properties of [(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)cyclopropyl]methanol?
[(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)cyclopropyl]methanol has a molecular weight of 336.84 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)cyclopropyl]methanol is sourced from PubChem (CID 124858614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).