2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]ethanol

C14H20ClNO3S — CID 62358135

IUPAC2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]ethanol
SMILESCc1cc(Cl)ccc1S(=O)(=O)N1CCCC(CCO)C1
InChIInChI=1S/C14H20ClNO3S/c1-11-9-13(15)4-5-14(11)20(18,19)16-7-2-3-12(10-16)6-8-17/h4-5,9,12,17H,2-3,6-8,10H2,1H3
InChIKeySTWMJLROCXHGMB-UHFFFAOYSA-N
MW317.84 g/mol
LogP2.43
Rot. Bonds4

About 2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]ethanol

2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]ethanol (PubChem CID 62358135) 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-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]ethanol
PubChem CID62358135
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]ethanol
SMILESCc1cc(Cl)ccc1S(=O)(=O)N1CCCC(CCO)C1
InChIInChI=1S/C14H20ClNO3S/c1-11-9-13(15)4-5-14(11)20(18,19)16-7-2-3-12(10-16)6-8-17/h4-5,9,12,17H,2-3,6-8,10H2,1H3
InChIKeySTWMJLROCXHGMB-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-amino-4-chlorophenyl)sulfonylpiperidin-3-yl]ethanol
CID 107211960
1-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 61206042
2-[1-(2-amino-4-chlorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114796780
(3S)-1-(4-chloro-2-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 78923457
2-[1-(5-amino-4-bromo-2-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 107211984
1-[1-(4-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63263879
2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethanol
CID 60956507
2-[1-(4-chloro-2-nitrophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115744905
2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 55064427
N-(2-aminoethyl)-1-(4-chloro-2-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119971498
4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-5-methylthiophene-2-carboxylic acid
CID 107214999
[1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-3-yl]methanol
CID 106996739

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]ethanol (CID 62358135) is 2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]ethanol is Cc1cc(Cl)ccc1S(=O)(=O)N1CCCC(CCO)C1.
What is the InChIKey of 2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]ethanol?
The InChIKey is STWMJLROCXHGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-11-9-13(15)4-5-14(11)20(18,19)16-7-2-3-12(10-16)6-8-17/h4-5,9,12,17H,2-3,6-8,10H2,1H3.
What are the key properties of 2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]ethanol?
2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]ethanol has a molecular weight of 317.84 g/mol, XLogP of 2.43, 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-3-yl]ethanol is sourced from PubChem (CID 62358135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).