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

C14H20ClNO4S — CID 62357301

IUPAC2-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]ethanol
SMILESCOc1ccc(S(=O)(=O)N2CCCC(CCO)C2)cc1Cl
InChIInChI=1S/C14H20ClNO4S/c1-20-14-5-4-12(9-13(14)15)21(18,19)16-7-2-3-11(10-16)6-8-17/h4-5,9,11,17H,2-3,6-8,10H2,1H3
InChIKeyKRVNLVDAMIQKMG-UHFFFAOYSA-N
MW333.84 g/mol
LogP2.13
Rot. Bonds5

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

2-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]ethanol (PubChem CID 62357301) has the molecular formula C14H20ClNO4S and a molecular weight of 333.84 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]ethanol
PubChem CID62357301
Molecular FormulaC14H20ClNO4S
Molecular Weight333.84 g/mol
Exact Mass333.08
IUPAC Name2-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]ethanol
SMILESCOc1ccc(S(=O)(=O)N2CCCC(CCO)C2)cc1Cl
InChIInChI=1S/C14H20ClNO4S/c1-20-14-5-4-12(9-13(14)15)21(18,19)16-7-2-3-11(10-16)6-8-17/h4-5,9,11,17H,2-3,6-8,10H2,1H3
InChIKeyKRVNLVDAMIQKMG-UHFFFAOYSA-N
XLogP2.13
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]ethanol (CID 62357301) is 2-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]ethanol is COc1ccc(S(=O)(=O)N2CCCC(CCO)C2)cc1Cl.
What is the InChIKey of 2-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]ethanol?
The InChIKey is KRVNLVDAMIQKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO4S/c1-20-14-5-4-12(9-13(14)15)21(18,19)16-7-2-3-11(10-16)6-8-17/h4-5,9,11,17H,2-3,6-8,10H2,1H3.
What are the key properties of 2-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]ethanol?
2-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]ethanol has a molecular weight of 333.84 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]ethanol is sourced from PubChem (CID 62357301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).