(4-chloro-2-hydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone

C13H16ClNO4S2 — CID 66377184

IUPAC(4-chloro-2-hydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
SMILESCCS(=O)(=O)C1CSCCN1C(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C13H16ClNO4S2/c1-2-21(18,19)12-8-20-6-5-15(12)13(17)10-4-3-9(14)7-11(10)16/h3-4,7,12,16H,2,5-6,8H2,1H3
InChIKeyGYRBMDVYQPYKKF-UHFFFAOYSA-N
MW349.86 g/mol
LogP2.00
Rot. Bonds3

About (4-chloro-2-hydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone

(4-chloro-2-hydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone (PubChem CID 66377184) has the molecular formula C13H16ClNO4S2 and a molecular weight of 349.86 g/mol. Its IUPAC name is (4-chloro-2-hydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-chloro-2-hydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
PubChem CID66377184
Molecular FormulaC13H16ClNO4S2
Molecular Weight349.86 g/mol
Exact Mass349.02
IUPAC Name(4-chloro-2-hydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
SMILESCCS(=O)(=O)C1CSCCN1C(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C13H16ClNO4S2/c1-2-21(18,19)12-8-20-6-5-15(12)13(17)10-4-3-9(14)7-11(10)16/h3-4,7,12,16H,2,5-6,8H2,1H3
InChIKeyGYRBMDVYQPYKKF-UHFFFAOYSA-N
XLogP2.00
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 133138750
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CID 8838489
(4-Chloro-2-hydroxyphenyl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 8924708
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CID 79880795
(1,1-Dioxo-1,4-thiazinan-4-yl)-(4-fluoro-2-hydroxyphenyl)methanone
CID 103829931
(5-Fluoro-2-hydroxyphenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103888798
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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-hydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone?
The IUPAC name of (4-chloro-2-hydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone (CID 66377184) is (4-chloro-2-hydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone.
What is the SMILES notation for (4-chloro-2-hydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone?
The canonical SMILES for (4-chloro-2-hydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone is CCS(=O)(=O)C1CSCCN1C(=O)c1ccc(Cl)cc1O.
What is the InChIKey of (4-chloro-2-hydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone?
The InChIKey is GYRBMDVYQPYKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4S2/c1-2-21(18,19)12-8-20-6-5-15(12)13(17)10-4-3-9(14)7-11(10)16/h3-4,7,12,16H,2,5-6,8H2,1H3.
What are the key properties of (4-chloro-2-hydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone?
(4-chloro-2-hydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone has a molecular weight of 349.86 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-hydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 66377184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).