[5-chloro-2-methyl-3-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol

C13H18ClNO4S — CID 82891083

IUPAC[5-chloro-2-methyl-3-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol
SMILESCc1c(CO)cc(Cl)cc1S(=O)(=O)N1CCOCC1C
InChIInChI=1S/C13H18ClNO4S/c1-9-8-19-4-3-15(9)20(17,18)13-6-12(14)5-11(7-16)10(13)2/h5-6,9,16H,3-4,7-8H2,1-2H3
InChIKeyUISJOYZRPZSJBU-UHFFFAOYSA-N
MW319.81 g/mol
LogP1.55
Rot. Bonds3

About [5-chloro-2-methyl-3-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol

[5-chloro-2-methyl-3-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol (PubChem CID 82891083) has the molecular formula C13H18ClNO4S and a molecular weight of 319.81 g/mol. Its IUPAC name is [5-chloro-2-methyl-3-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-methyl-3-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol
PubChem CID82891083
Molecular FormulaC13H18ClNO4S
Molecular Weight319.81 g/mol
Exact Mass319.06
IUPAC Name[5-chloro-2-methyl-3-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol
SMILESCc1c(CO)cc(Cl)cc1S(=O)(=O)N1CCOCC1C
InChIInChI=1S/C13H18ClNO4S/c1-9-8-19-4-3-15(9)20(17,18)13-6-12(14)5-11(7-16)10(13)2/h5-6,9,16H,3-4,7-8H2,1-2H3
InChIKeyUISJOYZRPZSJBU-UHFFFAOYSA-N
XLogP1.55
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-methyl-3-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol?
The IUPAC name of [5-chloro-2-methyl-3-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol (CID 82891083) is [5-chloro-2-methyl-3-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol.
What is the SMILES notation for [5-chloro-2-methyl-3-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol?
The canonical SMILES for [5-chloro-2-methyl-3-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol is Cc1c(CO)cc(Cl)cc1S(=O)(=O)N1CCOCC1C.
What is the InChIKey of [5-chloro-2-methyl-3-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol?
The InChIKey is UISJOYZRPZSJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO4S/c1-9-8-19-4-3-15(9)20(17,18)13-6-12(14)5-11(7-16)10(13)2/h5-6,9,16H,3-4,7-8H2,1-2H3.
What are the key properties of [5-chloro-2-methyl-3-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol?
[5-chloro-2-methyl-3-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol has a molecular weight of 319.81 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-methyl-3-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol is sourced from PubChem (CID 82891083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).