propan-2-yl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate

C14H17Cl2NO5S — CID 43004454

IUPACpropan-2-yl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
SMILESCC(C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2NO5S/c1-9(2)22-14(18)10-7-13(12(16)8-11(10)15)23(19,20)17-3-5-21-6-4-17/h7-9H,3-6H2,1-2H3
InChIKeyOTKCRCFYOVYJSS-UHFFFAOYSA-N
MW382.27 g/mol
LogP2.58
Rot. Bonds4

About propan-2-yl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate

propan-2-yl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 43004454) has the molecular formula C14H17Cl2NO5S and a molecular weight of 382.27 g/mol. Its IUPAC name is propan-2-yl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Namepropan-2-yl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
PubChem CID43004454
Molecular FormulaC14H17Cl2NO5S
Molecular Weight382.27 g/mol
Exact Mass381.02
IUPAC Namepropan-2-yl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
SMILESCC(C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2NO5S/c1-9(2)22-14(18)10-7-13(12(16)8-11(10)15)23(19,20)17-3-5-21-6-4-17/h7-9H,3-6H2,1-2H3
InChIKeyOTKCRCFYOVYJSS-UHFFFAOYSA-N
XLogP2.58
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 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-methylpropyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 24518178
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 16527062
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-propan-2-ylbenzamide
CID 2994997
2-hydroxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 24518137
[2-oxo-2-(propan-2-ylamino)ethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 16527052
(2-morpholin-4-yl-2-oxoethyl) 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 2432075
[2-oxo-2-(pentan-2-ylamino)ethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 4566884
2,4-dichloro-N-(4-ethylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 71903942
[2-(ethoxycarbonylamino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 4692168
[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 4841741
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 16596185
[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 40950079

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of propan-2-yl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate (CID 43004454) is propan-2-yl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for propan-2-yl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for propan-2-yl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate is CC(C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl.
What is the InChIKey of propan-2-yl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is OTKCRCFYOVYJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO5S/c1-9(2)22-14(18)10-7-13(12(16)8-11(10)15)23(19,20)17-3-5-21-6-4-17/h7-9H,3-6H2,1-2H3.
What are the key properties of propan-2-yl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate?
propan-2-yl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 382.27 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 43004454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).