[2-chloro-4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]methanol

C13H18ClNO4S — CID 107090677

IUPAC[2-chloro-4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]methanol
SMILESCC1(C)COCCN1S(=O)(=O)c1ccc(CO)c(Cl)c1
InChIInChI=1S/C13H18ClNO4S/c1-13(2)9-19-6-5-15(13)20(17,18)11-4-3-10(8-16)12(14)7-11/h3-4,7,16H,5-6,8-9H2,1-2H3
InChIKeyOVPOGBINWNANGU-UHFFFAOYSA-N
MW319.81 g/mol
LogP1.63
Rot. Bonds3

About [2-chloro-4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]methanol

[2-chloro-4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]methanol (PubChem CID 107090677) has the molecular formula C13H18ClNO4S and a molecular weight of 319.81 g/mol. Its IUPAC name is [2-chloro-4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]methanol.

Molecular Properties

Compound Name[2-chloro-4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]methanol
PubChem CID107090677
Molecular FormulaC13H18ClNO4S
Molecular Weight319.81 g/mol
Exact Mass319.06
IUPAC Name[2-chloro-4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]methanol
SMILESCC1(C)COCCN1S(=O)(=O)c1ccc(CO)c(Cl)c1
InChIInChI=1S/C13H18ClNO4S/c1-13(2)9-19-6-5-15(13)20(17,18)11-4-3-10(8-16)12(14)7-11/h3-4,7,16H,5-6,8-9H2,1-2H3
InChIKeyOVPOGBINWNANGU-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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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]methanol?
The IUPAC name of [2-chloro-4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]methanol (CID 107090677) is [2-chloro-4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]methanol.
What is the SMILES notation for [2-chloro-4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]methanol?
The canonical SMILES for [2-chloro-4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]methanol is CC1(C)COCCN1S(=O)(=O)c1ccc(CO)c(Cl)c1.
What is the InChIKey of [2-chloro-4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]methanol?
The InChIKey is OVPOGBINWNANGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO4S/c1-13(2)9-19-6-5-15(13)20(17,18)11-4-3-10(8-16)12(14)7-11/h3-4,7,16H,5-6,8-9H2,1-2H3.
What are the key properties of [2-chloro-4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]methanol?
[2-chloro-4-(3,3-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-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]methanol is sourced from PubChem (CID 107090677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).