3-(4-chlorophenyl)sulfonylcyclohexan-1-ol

C12H15ClO3S — CID 106584902

IUPAC3-(4-chlorophenyl)sulfonylcyclohexan-1-ol
SMILESO=S(=O)(c1ccc(Cl)cc1)C1CCCC(O)C1
InChIInChI=1S/C12H15ClO3S/c13-9-4-6-11(7-5-9)17(15,16)12-3-1-2-10(14)8-12/h4-7,10,12,14H,1-3,8H2
InChIKeyKOJWCBCBQILRNE-UHFFFAOYSA-N
MW274.77 g/mol
LogP2.42
Rot. Bonds2

About 3-(4-chlorophenyl)sulfonylcyclohexan-1-ol

3-(4-chlorophenyl)sulfonylcyclohexan-1-ol (PubChem CID 106584902) has the molecular formula C12H15ClO3S and a molecular weight of 274.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonylcyclohexan-1-ol.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonylcyclohexan-1-ol
PubChem CID106584902
Molecular FormulaC12H15ClO3S
Molecular Weight274.77 g/mol
Exact Mass274.04
IUPAC Name3-(4-chlorophenyl)sulfonylcyclohexan-1-ol
SMILESO=S(=O)(c1ccc(Cl)cc1)C1CCCC(O)C1
InChIInChI=1S/C12H15ClO3S/c13-9-4-6-11(7-5-9)17(15,16)12-3-1-2-10(14)8-12/h4-7,10,12,14H,1-3,8H2
InChIKeyKOJWCBCBQILRNE-UHFFFAOYSA-N
XLogP2.42
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-3-chloro-2-[(1S,3S)-3-hydroxycyclohexyl]sulfonylphenol
CID 118554748
4-(4-chlorophenyl)sulfonylpiperidine-1-carbonyl chloride
CID 87288005
3-chloro-4-fluoro-N-[(1R,3R)-3-hydroxycyclohexyl]benzenesulfonamide
CID 95984027
trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol
CID 96581730
(4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]methanone
CID 67168197
3-(benzenesulfonyl)-8-(4-chlorophenyl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 90591648
3-(benzenesulfonyl)cyclohexane-1-carboxylic acid
CID 115049970
trans-(1S,3S)-3-(2-chlorophenyl)sulfonylcyclopentan-1-ol
CID 90107100
4-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 54351747
N-methyl-3-(4-methylphenyl)sulfonylcyclohexan-1-amine
CID 64716296
4-chloro-3-(3-hydroxycyclohexyl)sulfonyl-N-(3,4,5-trifluorophenyl)benzamide
CID 130425110
1,3-bis[(4-chlorophenyl)sulfonyl]pyrrolidine
CID 90587928

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonylcyclohexan-1-ol?
The IUPAC name of 3-(4-chlorophenyl)sulfonylcyclohexan-1-ol (CID 106584902) is 3-(4-chlorophenyl)sulfonylcyclohexan-1-ol.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonylcyclohexan-1-ol?
The canonical SMILES for 3-(4-chlorophenyl)sulfonylcyclohexan-1-ol is O=S(=O)(c1ccc(Cl)cc1)C1CCCC(O)C1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonylcyclohexan-1-ol?
The InChIKey is KOJWCBCBQILRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3S/c13-9-4-6-11(7-5-9)17(15,16)12-3-1-2-10(14)8-12/h4-7,10,12,14H,1-3,8H2.
What are the key properties of 3-(4-chlorophenyl)sulfonylcyclohexan-1-ol?
3-(4-chlorophenyl)sulfonylcyclohexan-1-ol has a molecular weight of 274.77 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonylcyclohexan-1-ol is sourced from PubChem (CID 106584902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).