[2-chloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanol

C13H18ClNO4S — CID 107090579

IUPAC[2-chloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanol
SMILESCC1CN(S(=O)(=O)c2ccc(CO)c(Cl)c2)CC(C)O1
InChIInChI=1S/C13H18ClNO4S/c1-9-6-15(7-10(2)19-9)20(17,18)12-4-3-11(8-16)13(14)5-12/h3-5,9-10,16H,6-8H2,1-2H3
InChIKeyAQUHPTLSIDHSIJ-UHFFFAOYSA-N
MW319.81 g/mol
LogP1.63
Rot. Bonds3

About [2-chloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanol

[2-chloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanol (PubChem CID 107090579) has the molecular formula C13H18ClNO4S and a molecular weight of 319.81 g/mol. Its IUPAC name is [2-chloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanol.

Molecular Properties

Compound Name[2-chloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanol
PubChem CID107090579
Molecular FormulaC13H18ClNO4S
Molecular Weight319.81 g/mol
Exact Mass319.06
IUPAC Name[2-chloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanol
SMILESCC1CN(S(=O)(=O)c2ccc(CO)c(Cl)c2)CC(C)O1
InChIInChI=1S/C13H18ClNO4S/c1-9-6-15(7-10(2)19-9)20(17,18)12-4-3-11(8-16)13(14)5-12/h3-5,9-10,16H,6-8H2,1-2H3
InChIKeyAQUHPTLSIDHSIJ-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chloro-4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 2938439
(2S,6S)-4-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 39730574
[4-(3-amino-4-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931885
[2-chloro-4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]methanol
CID 107090598
[2-chloro-4-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]methanol
CID 107090687
[2-chloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol
CID 107090902
[4-chloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanol
CID 104961448
[2-chloro-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylphenyl]methanol
CID 114551610
(2R,6S)-4-(3,4-difluorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 2142612
7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-one
CID 92853527
(2R,6R)-4-(3-butoxy-4-chlorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 35202783
4-(3-butoxy-4-chlorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 45146123

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanol?
The IUPAC name of [2-chloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanol (CID 107090579) is [2-chloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanol.
What is the SMILES notation for [2-chloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanol?
The canonical SMILES for [2-chloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanol is CC1CN(S(=O)(=O)c2ccc(CO)c(Cl)c2)CC(C)O1.
What is the InChIKey of [2-chloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanol?
The InChIKey is AQUHPTLSIDHSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO4S/c1-9-6-15(7-10(2)19-9)20(17,18)12-4-3-11(8-16)13(14)5-12/h3-5,9-10,16H,6-8H2,1-2H3.
What are the key properties of [2-chloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanol?
[2-chloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanol has a molecular weight of 319.81 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanol is sourced from PubChem (CID 107090579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).