trans-(1S,3S)-3-(2-chlorophenyl)sulfonylcyclopentan-1-ol

C11H13ClO3S — CID 90107100

IUPACtrans-(1S,3S)-3-(2-chlorophenyl)sulfonylcyclopentan-1-ol
SMILESO=S(=O)(c1ccccc1Cl)[C@H]1CC[C@H](O)C1
InChIInChI=1S/C11H13ClO3S/c12-10-3-1-2-4-11(10)16(14,15)9-6-5-8(13)7-9/h1-4,8-9,13H,5-7H2/t8-,9-/m0/s1
InChIKeyIFHIVPPUVUCMKS-IUCAKERBSA-N
MW260.74 g/mol
LogP2.03
Rot. Bonds2

About trans-(1S,3S)-3-(2-chlorophenyl)sulfonylcyclopentan-1-ol

trans-(1S,3S)-3-(2-chlorophenyl)sulfonylcyclopentan-1-ol (PubChem CID 90107100) has the molecular formula C11H13ClO3S and a molecular weight of 260.74 g/mol. Its IUPAC name is trans-(1S,3S)-3-(2-chlorophenyl)sulfonylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,3S)-3-(2-chlorophenyl)sulfonylcyclopentan-1-ol
PubChem CID90107100
Molecular FormulaC11H13ClO3S
Molecular Weight260.74 g/mol
Exact Mass260.03
IUPAC Nametrans-(1S,3S)-3-(2-chlorophenyl)sulfonylcyclopentan-1-ol
SMILESO=S(=O)(c1ccccc1Cl)[C@H]1CC[C@H](O)C1
InChIInChI=1S/C11H13ClO3S/c12-10-3-1-2-4-11(10)16(14,15)9-6-5-8(13)7-9/h1-4,8-9,13H,5-7H2/t8-,9-/m0/s1
InChIKeyIFHIVPPUVUCMKS-IUCAKERBSA-N
XLogP2.03
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.74
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)sulfonylcyclopentan-1-ol
CID 106585240
(3S)-3-(2-chlorophenyl)sulfonylpyrrolidine
CID 67495805
1-chloro-2-[(1S,3S)-3-[(4-chlorophenyl)methoxy]cyclopentyl]sulfonylbenzene
CID 90106767
4-(2-chlorophenyl)sulfonylazepane
CID 115070332
(2S,4R)-1-tert-butyl-4-(2-chlorophenyl)sulfonyl-2-methylpyrrolidine
CID 141361413
3-(4-chlorophenyl)sulfonylcyclohexan-1-ol
CID 106584902
(2R,4S)-4-(2-chlorophenyl)sulfonyl-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylic acid
CID 140580366
[(2S,4S)-4-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 69169535
cis-(1R,2R)-4-(2-chlorophenyl)sulfonyl-2-methoxy-1-methylcyclopentane-1-carboxylic acid
CID 152723744
(2S,4R)-4-(2-chlorophenyl)sulfonyl-1-(oxetan-3-yl)pyrrolidine-2-carboxylic acid
CID 142763114
(2S,4R)-4-(2-chlorophenyl)sulfonyl-1-(1-methylpiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 68500402
(2R)-2-[(2-chlorophenyl)sulfonylmethyl]oxirane
CID 130493433

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-(2-chlorophenyl)sulfonylcyclopentan-1-ol?
The IUPAC name of trans-(1S,3S)-3-(2-chlorophenyl)sulfonylcyclopentan-1-ol (CID 90107100) is trans-(1S,3S)-3-(2-chlorophenyl)sulfonylcyclopentan-1-ol.
What is the SMILES notation for trans-(1S,3S)-3-(2-chlorophenyl)sulfonylcyclopentan-1-ol?
The canonical SMILES for trans-(1S,3S)-3-(2-chlorophenyl)sulfonylcyclopentan-1-ol is O=S(=O)(c1ccccc1Cl)[C@H]1CC[C@H](O)C1.
What is the InChIKey of trans-(1S,3S)-3-(2-chlorophenyl)sulfonylcyclopentan-1-ol?
The InChIKey is IFHIVPPUVUCMKS-IUCAKERBSA-N. The full InChI is InChI=1S/C11H13ClO3S/c12-10-3-1-2-4-11(10)16(14,15)9-6-5-8(13)7-9/h1-4,8-9,13H,5-7H2/t8-,9-/m0/s1.
What are the key properties of trans-(1S,3S)-3-(2-chlorophenyl)sulfonylcyclopentan-1-ol?
trans-(1S,3S)-3-(2-chlorophenyl)sulfonylcyclopentan-1-ol has a molecular weight of 260.74 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-(2-chlorophenyl)sulfonylcyclopentan-1-ol is sourced from PubChem (CID 90107100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).