2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethanol

C14H20ClNO3S — CID 60956507

IUPAC2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethanol
SMILESCc1cc(Cl)ccc1S(=O)(=O)N1CCCCC1CCO
InChIInChI=1S/C14H20ClNO3S/c1-11-10-12(15)5-6-14(11)20(18,19)16-8-3-2-4-13(16)7-9-17/h5-6,10,13,17H,2-4,7-9H2,1H3
InChIKeyURQBLYGYSOAWJG-UHFFFAOYSA-N
MW317.84 g/mol
LogP2.57
Rot. Bonds4

About 2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethanol

2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethanol (PubChem CID 60956507) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is 2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethanol
PubChem CID60956507
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethanol
SMILESCc1cc(Cl)ccc1S(=O)(=O)N1CCCCC1CCO
InChIInChI=1S/C14H20ClNO3S/c1-11-10-12(15)5-6-14(11)20(18,19)16-8-3-2-4-13(16)7-9-17/h5-6,10,13,17H,2-4,7-9H2,1H3
InChIKeyURQBLYGYSOAWJG-UHFFFAOYSA-N
XLogP2.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-2-yl]ethanol
CID 60957878
2-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-2-yl]ethanol
CID 60958145
4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-3-methylbenzonitrile
CID 103833725
2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethanol
CID 54878321
1-(4-chloro-2-methylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 43361310
2-(2-chloroethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine
CID 63397490
methyl (2R)-1-(4-chloro-2-methylphenyl)sulfonylpiperidine-2-carboxylate
CID 79836493
2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 62358135
[1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-2-yl]methanol
CID 106996722
2-(chloromethyl)-1-(2,4-dimethylphenyl)sulfonylazepane
CID 116639743
3-[1-(4-amino-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62467903
[1-(4-chloro-2-methylphenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 102786207

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethanol (CID 60956507) is 2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethanol is Cc1cc(Cl)ccc1S(=O)(=O)N1CCCCC1CCO.
What is the InChIKey of 2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethanol?
The InChIKey is URQBLYGYSOAWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-11-10-12(15)5-6-14(11)20(18,19)16-8-3-2-4-13(16)7-9-17/h5-6,10,13,17H,2-4,7-9H2,1H3.
What are the key properties of 2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethanol?
2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethanol has a molecular weight of 317.84 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethanol is sourced from PubChem (CID 60956507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).