2-hydroxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate

C13H15Cl2NO6S — CID 24518137

IUPAC2-hydroxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
SMILESO=C(OCCO)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2NO6S/c14-10-8-11(15)12(7-9(10)13(18)22-6-3-17)23(19,20)16-1-4-21-5-2-16/h7-8,17H,1-6H2
InChIKeyJBHCOOUKYJALNJ-UHFFFAOYSA-N
MW384.24 g/mol
LogP1.16
Rot. Bonds5

About 2-hydroxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate

2-hydroxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 24518137) has the molecular formula C13H15Cl2NO6S and a molecular weight of 384.24 g/mol. Its IUPAC name is 2-hydroxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name2-hydroxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
PubChem CID24518137
Molecular FormulaC13H15Cl2NO6S
Molecular Weight384.24 g/mol
Exact Mass383.00
IUPAC Name2-hydroxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
SMILESO=C(OCCO)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2NO6S/c14-10-8-11(15)12(7-9(10)13(18)22-6-3-17)23(19,20)16-1-4-21-5-2-16/h7-8,17H,1-6H2
InChIKeyJBHCOOUKYJALNJ-UHFFFAOYSA-N
XLogP1.16
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.24
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-hydroxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate 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

(2-morpholin-4-yl-2-oxoethyl) 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 2432075
2-methylpropyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 24518178
propan-2-yl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 43004454
[2-oxo-2-(propan-2-ylamino)ethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 16527052
[2-(ethoxycarbonylamino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 4692168
[2-oxo-2-(pentan-2-ylamino)ethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 4566884
[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 40950079
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-propan-2-ylbenzamide
CID 2994997
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 16596185
[2-(2-fluoroanilino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 16527076
[2-[benzhydryl(methyl)amino]-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 2119505
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 16527062

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of 2-hydroxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate (CID 24518137) is 2-hydroxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for 2-hydroxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for 2-hydroxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate is O=C(OCCO)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl.
What is the InChIKey of 2-hydroxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is JBHCOOUKYJALNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO6S/c14-10-8-11(15)12(7-9(10)13(18)22-6-3-17)23(19,20)16-1-4-21-5-2-16/h7-8,17H,1-6H2.
What are the key properties of 2-hydroxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate?
2-hydroxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 384.24 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 24518137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).