[4-chloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanol

C13H18ClNO4S — CID 104961448

IUPAC[4-chloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanol
SMILESC[C@@H]1CN(S(=O)(=O)c2cc(CO)ccc2Cl)C[C@H](C)O1
InChIInChI=1S/C13H18ClNO4S/c1-9-6-15(7-10(2)19-9)20(17,18)13-5-11(8-16)3-4-12(13)14/h3-5,9-10,16H,6-8H2,1-2H3/t9-,10+
InChIKeyDZWNYVUSVWWASV-AOOOYVTPSA-N
MW319.81 g/mol
LogP1.63
Rot. Bonds3

About [4-chloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanol

[4-chloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanol (PubChem CID 104961448) has the molecular formula C13H18ClNO4S and a molecular weight of 319.81 g/mol. Its IUPAC name is [4-chloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanol.

Molecular Properties

Compound Name[4-chloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanol
PubChem CID104961448
Molecular FormulaC13H18ClNO4S
Molecular Weight319.81 g/mol
Exact Mass319.06
IUPAC Name[4-chloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanol
SMILESC[C@@H]1CN(S(=O)(=O)c2cc(CO)ccc2Cl)C[C@H](C)O1
InChIInChI=1S/C13H18ClNO4S/c1-9-6-15(7-10(2)19-9)20(17,18)13-5-11(8-16)3-4-12(13)14/h3-5,9-10,16H,6-8H2,1-2H3/t9-,10+
InChIKeyDZWNYVUSVWWASV-AOOOYVTPSA-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-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-fluorophenyl]methanol
CID 104961473
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoic acid
CID 3851171
[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4,5-dimethylphenyl]methanol
CID 104961498
4-chloro-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 2412227
4-chloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 2412224
4-chloro-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonylbenzonitrile
CID 102932848
4-chloro-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(4-methylphenyl)methyl]benzamide
CID 2664064
[4-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol
CID 102970791
[2-chloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanol
CID 107090579
[4-chloro-3-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol
CID 102970851
[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylmethyl]phenyl]methanol
CID 104961468
[4-(4-amino-2-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931874

Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanol?
The IUPAC name of [4-chloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanol (CID 104961448) is [4-chloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanol.
What is the SMILES notation for [4-chloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanol?
The canonical SMILES for [4-chloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanol is C[C@@H]1CN(S(=O)(=O)c2cc(CO)ccc2Cl)C[C@H](C)O1.
What is the InChIKey of [4-chloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanol?
The InChIKey is DZWNYVUSVWWASV-AOOOYVTPSA-N. The full InChI is InChI=1S/C13H18ClNO4S/c1-9-6-15(7-10(2)19-9)20(17,18)13-5-11(8-16)3-4-12(13)14/h3-5,9-10,16H,6-8H2,1-2H3/t9-,10+.
What are the key properties of [4-chloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanol?
[4-chloro-3-[(2S,6R)-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 [4-chloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanol is sourced from PubChem (CID 104961448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).