4-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylphenol

C12H17NO5S3 — CID 66376997

IUPAC4-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylphenol
SMILESCCS(=O)(=O)C1CSCCN1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C12H17NO5S3/c1-2-20(15,16)12-9-19-8-7-13(12)21(17,18)11-5-3-10(14)4-6-11/h3-6,12,14H,2,7-9H2,1H3
InChIKeyKHFZXYDSRMMBOH-UHFFFAOYSA-N
MW351.47 g/mol
LogP0.89
Rot. Bonds4

About 4-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylphenol

4-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylphenol (PubChem CID 66376997) has the molecular formula C12H17NO5S3 and a molecular weight of 351.47 g/mol. Its IUPAC name is 4-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylphenol.

Molecular Properties

Compound Name4-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylphenol
PubChem CID66376997
Molecular FormulaC12H17NO5S3
Molecular Weight351.47 g/mol
Exact Mass351.03
IUPAC Name4-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylphenol
SMILESCCS(=O)(=O)C1CSCCN1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C12H17NO5S3/c1-2-20(15,16)12-9-19-8-7-13(12)21(17,18)11-5-3-10(14)4-6-11/h3-6,12,14H,2,7-9H2,1H3
InChIKeyKHFZXYDSRMMBOH-UHFFFAOYSA-N
XLogP0.89
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpyridin-2-amine
CID 66383129
[4-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylthiophen-2-yl]methanol
CID 66377401
4-[[5-(chloromethyl)-1H-pyrrol-3-yl]sulfonyl]-3-ethylsulfonylthiomorpholine
CID 66376586
3-ethylsulfonyl-4-propylsulfonylthiomorpholine
CID 66376427
2-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylacetic acid
CID 66377519
(2,4-dihydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 107723282
3-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpropan-1-ol
CID 66376812
[4-(4-ethoxyphenyl)sulfonylthiomorpholin-3-yl]methanol
CID 75443923
(2,6-dihydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 107689435
(3-ethylsulfonylthiomorpholin-4-yl)-(3-hydroxyphenyl)methanone
CID 66376989
4-(4-acetylphenyl)sulfonylthiomorpholine-3-carboxylic acid
CID 78979783
2-(3-ethylsulfonylthiomorpholin-4-yl)benzoic acid
CID 66377379

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylphenol?
The IUPAC name of 4-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylphenol (CID 66376997) is 4-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylphenol.
What is the SMILES notation for 4-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylphenol?
The canonical SMILES for 4-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylphenol is CCS(=O)(=O)C1CSCCN1S(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 4-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylphenol?
The InChIKey is KHFZXYDSRMMBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S3/c1-2-20(15,16)12-9-19-8-7-13(12)21(17,18)11-5-3-10(14)4-6-11/h3-6,12,14H,2,7-9H2,1H3.
What are the key properties of 4-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylphenol?
4-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylphenol has a molecular weight of 351.47 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylphenol is sourced from PubChem (CID 66376997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).