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

C15H19Cl2NO5S — CID 24518178

IUPAC2-methylpropyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
SMILESCC(C)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2NO5S/c1-10(2)9-23-15(19)11-7-14(13(17)8-12(11)16)24(20,21)18-3-5-22-6-4-18/h7-8,10H,3-6,9H2,1-2H3
InChIKeyYHRCFNLVBHXQSQ-UHFFFAOYSA-N
MW396.29 g/mol
LogP2.83
Rot. Bonds5

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

2-methylpropyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 24518178) has the molecular formula C15H19Cl2NO5S and a molecular weight of 396.29 g/mol. Its IUPAC name is 2-methylpropyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name2-methylpropyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
PubChem CID24518178
Molecular FormulaC15H19Cl2NO5S
Molecular Weight396.29 g/mol
Exact Mass395.04
IUPAC Name2-methylpropyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
SMILESCC(C)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2NO5S/c1-10(2)9-23-15(19)11-7-14(13(17)8-12(11)16)24(20,21)18-3-5-22-6-4-18/h7-8,10H,3-6,9H2,1-2H3
InChIKeyYHRCFNLVBHXQSQ-UHFFFAOYSA-N
XLogP2.83
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 24518137
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-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-5-morpholin-4-ylsulfonyl-N-propan-2-ylbenzamide
CID 2994997
[2-(ethoxycarbonylamino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 4692168
[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 40950079
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 16596185
[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
[2-(2-fluoroanilino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 16527076

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of 2-methylpropyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate (CID 24518178) is 2-methylpropyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for 2-methylpropyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for 2-methylpropyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate is CC(C)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl.
What is the InChIKey of 2-methylpropyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is YHRCFNLVBHXQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO5S/c1-10(2)9-23-15(19)11-7-14(13(17)8-12(11)16)24(20,21)18-3-5-22-6-4-18/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 2-methylpropyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate?
2-methylpropyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 396.29 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 24518178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).