1-[1-(5-chloro-4-methoxy-2-methylphenyl)sulfonyl-4-methylpiperidin-2-yl]ethanol

C16H24ClNO4S — CID 136537874

IUPAC1-[1-(5-chloro-4-methoxy-2-methylphenyl)sulfonyl-4-methylpiperidin-2-yl]ethanol
SMILESCOc1cc(C)c(S(=O)(=O)N2CCC(C)CC2C(C)O)cc1Cl
InChIInChI=1S/C16H24ClNO4S/c1-10-5-6-18(14(7-10)12(3)19)23(20,21)16-9-13(17)15(22-4)8-11(16)2/h8-10,12,14,19H,5-7H2,1-4H3
InChIKeyMFUVMDXRAJXICW-UHFFFAOYSA-N
MW361.89 g/mol
LogP2.83
Rot. Bonds4

About 1-[1-(5-chloro-4-methoxy-2-methylphenyl)sulfonyl-4-methylpiperidin-2-yl]ethanol

1-[1-(5-chloro-4-methoxy-2-methylphenyl)sulfonyl-4-methylpiperidin-2-yl]ethanol (PubChem CID 136537874) has the molecular formula C16H24ClNO4S and a molecular weight of 361.89 g/mol. Its IUPAC name is 1-[1-(5-chloro-4-methoxy-2-methylphenyl)sulfonyl-4-methylpiperidin-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-(5-chloro-4-methoxy-2-methylphenyl)sulfonyl-4-methylpiperidin-2-yl]ethanol
PubChem CID136537874
Molecular FormulaC16H24ClNO4S
Molecular Weight361.89 g/mol
Exact Mass361.11
IUPAC Name1-[1-(5-chloro-4-methoxy-2-methylphenyl)sulfonyl-4-methylpiperidin-2-yl]ethanol
SMILESCOc1cc(C)c(S(=O)(=O)N2CCC(C)CC2C(C)O)cc1Cl
InChIInChI=1S/C16H24ClNO4S/c1-10-5-6-18(14(7-10)12(3)19)23(20,21)16-9-13(17)15(22-4)8-11(16)2/h8-10,12,14,19H,5-7H2,1-4H3
InChIKeyMFUVMDXRAJXICW-UHFFFAOYSA-N
XLogP2.83
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.89
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 120606502
1-[1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 120709083
1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 110757932
1-(4,5-dimethoxy-2-methylphenyl)sulfonyl-2-propan-2-ylpyrrolidine-3-carboxylic acid
CID 136541755
1-(5-chloro-4-methoxy-2-methylphenyl)sulfonyl-4-ethynylpiperidin-4-ol
CID 126822190
1-[4-(5-chloro-4-methoxy-2-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 110796584
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperidine
CID 6463939
1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 11841663
(3R,5R)-1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 7314523
1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2-phenylpyrrolidine-3-carboxylic acid
CID 167880325
1-[1-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 119974814
1-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 120709113

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chloro-4-methoxy-2-methylphenyl)sulfonyl-4-methylpiperidin-2-yl]ethanol?
The IUPAC name of 1-[1-(5-chloro-4-methoxy-2-methylphenyl)sulfonyl-4-methylpiperidin-2-yl]ethanol (CID 136537874) is 1-[1-(5-chloro-4-methoxy-2-methylphenyl)sulfonyl-4-methylpiperidin-2-yl]ethanol.
What is the SMILES notation for 1-[1-(5-chloro-4-methoxy-2-methylphenyl)sulfonyl-4-methylpiperidin-2-yl]ethanol?
The canonical SMILES for 1-[1-(5-chloro-4-methoxy-2-methylphenyl)sulfonyl-4-methylpiperidin-2-yl]ethanol is COc1cc(C)c(S(=O)(=O)N2CCC(C)CC2C(C)O)cc1Cl.
What is the InChIKey of 1-[1-(5-chloro-4-methoxy-2-methylphenyl)sulfonyl-4-methylpiperidin-2-yl]ethanol?
The InChIKey is MFUVMDXRAJXICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO4S/c1-10-5-6-18(14(7-10)12(3)19)23(20,21)16-9-13(17)15(22-4)8-11(16)2/h8-10,12,14,19H,5-7H2,1-4H3.
What are the key properties of 1-[1-(5-chloro-4-methoxy-2-methylphenyl)sulfonyl-4-methylpiperidin-2-yl]ethanol?
1-[1-(5-chloro-4-methoxy-2-methylphenyl)sulfonyl-4-methylpiperidin-2-yl]ethanol has a molecular weight of 361.89 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chloro-4-methoxy-2-methylphenyl)sulfonyl-4-methylpiperidin-2-yl]ethanol is sourced from PubChem (CID 136537874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).