[4-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol

C14H20ClNO4S — CID 102970791

IUPAC[4-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol
SMILESCOC1CN(S(=O)(=O)c2cc(CO)ccc2Cl)CCC1C
InChIInChI=1S/C14H20ClNO4S/c1-10-5-6-16(8-13(10)20-2)21(18,19)14-7-11(9-17)3-4-12(14)15/h3-4,7,10,13,17H,5-6,8-9H2,1-2H3
InChIKeyITHROEMCKXEDLJ-UHFFFAOYSA-N
MW333.84 g/mol
LogP1.88
Rot. Bonds4

About [4-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol

[4-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol (PubChem CID 102970791) has the molecular formula C14H20ClNO4S and a molecular weight of 333.84 g/mol. Its IUPAC name is [4-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol.

Molecular Properties

Compound Name[4-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol
PubChem CID102970791
Molecular FormulaC14H20ClNO4S
Molecular Weight333.84 g/mol
Exact Mass333.08
IUPAC Name[4-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol
SMILESCOC1CN(S(=O)(=O)c2cc(CO)ccc2Cl)CCC1C
InChIInChI=1S/C14H20ClNO4S/c1-10-5-6-16(8-13(10)20-2)21(18,19)14-7-11(9-17)3-4-12(14)15/h3-4,7,10,13,17H,5-6,8-9H2,1-2H3
InChIKeyITHROEMCKXEDLJ-UHFFFAOYSA-N
XLogP1.88
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-fluoro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol
CID 102970770
[4-chloro-3-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol
CID 102970851
[4-chloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanol
CID 104961448
2-[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]ethanol
CID 102970782
5-bromo-2-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpyridine
CID 102675668
1-[2-(chloromethyl)thiophen-3-yl]sulfonyl-3-methoxy-4-methylpiperidine
CID 102969021
N-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylaniline
CID 102964517
[1-(2,5-dichlorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960842
4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile
CID 102675606
4-chloro-3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylbenzoic acid
CID 64569842
[4-chloro-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanamine
CID 106590007
1-[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]-N-methylmethanamine
CID 102971629

Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol?
The IUPAC name of [4-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol (CID 102970791) is [4-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol.
What is the SMILES notation for [4-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol?
The canonical SMILES for [4-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol is COC1CN(S(=O)(=O)c2cc(CO)ccc2Cl)CCC1C.
What is the InChIKey of [4-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol?
The InChIKey is ITHROEMCKXEDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO4S/c1-10-5-6-16(8-13(10)20-2)21(18,19)14-7-11(9-17)3-4-12(14)15/h3-4,7,10,13,17H,5-6,8-9H2,1-2H3.
What are the key properties of [4-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol?
[4-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol has a molecular weight of 333.84 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol is sourced from PubChem (CID 102970791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).