methyl 4-chloro-3-(3-morpholin-4-ylsulfonylpropanoylamino)benzoate

C15H19ClN2O6S — CID 110296154

IUPACmethyl 4-chloro-3-(3-morpholin-4-ylsulfonylpropanoylamino)benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)CCS(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C15H19ClN2O6S/c1-23-15(20)11-2-3-12(16)13(10-11)17-14(19)4-9-25(21,22)18-5-7-24-8-6-18/h2-3,10H,4-9H2,1H3,(H,17,19)
InChIKeyZLVQBXFZYWZTGX-UHFFFAOYSA-N
MW390.85 g/mol
LogP1.12
Rot. Bonds6

About methyl 4-chloro-3-(3-morpholin-4-ylsulfonylpropanoylamino)benzoate

methyl 4-chloro-3-(3-morpholin-4-ylsulfonylpropanoylamino)benzoate (PubChem CID 110296154) has the molecular formula C15H19ClN2O6S and a molecular weight of 390.85 g/mol. Its IUPAC name is methyl 4-chloro-3-(3-morpholin-4-ylsulfonylpropanoylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-(3-morpholin-4-ylsulfonylpropanoylamino)benzoate
PubChem CID110296154
Molecular FormulaC15H19ClN2O6S
Molecular Weight390.85 g/mol
Exact Mass390.07
IUPAC Namemethyl 4-chloro-3-(3-morpholin-4-ylsulfonylpropanoylamino)benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)CCS(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C15H19ClN2O6S/c1-23-15(20)11-2-3-12(16)13(10-11)17-14(19)4-9-25(21,22)18-5-7-24-8-6-18/h2-3,10H,4-9H2,1H3,(H,17,19)
InChIKeyZLVQBXFZYWZTGX-UHFFFAOYSA-N
XLogP1.12
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 779077
methyl 3-[(2-chloro-5-morpholin-4-ylsulfonylbenzoyl)amino]-4-methylbenzoate
CID 26198212
6-(2-chloro-5-methoxycarbonylanilino)-6-oxohexanoic acid
CID 43579926
dimethyl 2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzene-1,4-dicarboxylate
CID 28580238
methyl 4-chloro-3-[(4-morpholin-4-ylpyridine-2-carbonyl)amino]benzoate
CID 109206683
methyl 4-methyl-3-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 26198227
methyl 4-chloro-3-[(2-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate
CID 109300469
methyl 2-chloro-5-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 92672400
methyl 4-chloro-3-morpholin-4-ylbenzoate
CID 7148400
methyl 4-methyl-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 26198226
methyl 3-[[2-(butanoylamino)acetyl]amino]-4-chlorobenzoate
CID 112999994
methyl 4-chloro-3-[4-(propan-2-ylamino)butanoylamino]benzoate
CID 60849231

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-(3-morpholin-4-ylsulfonylpropanoylamino)benzoate?
The IUPAC name of methyl 4-chloro-3-(3-morpholin-4-ylsulfonylpropanoylamino)benzoate (CID 110296154) is methyl 4-chloro-3-(3-morpholin-4-ylsulfonylpropanoylamino)benzoate.
What is the SMILES notation for methyl 4-chloro-3-(3-morpholin-4-ylsulfonylpropanoylamino)benzoate?
The canonical SMILES for methyl 4-chloro-3-(3-morpholin-4-ylsulfonylpropanoylamino)benzoate is COC(=O)c1ccc(Cl)c(NC(=O)CCS(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of methyl 4-chloro-3-(3-morpholin-4-ylsulfonylpropanoylamino)benzoate?
The InChIKey is ZLVQBXFZYWZTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O6S/c1-23-15(20)11-2-3-12(16)13(10-11)17-14(19)4-9-25(21,22)18-5-7-24-8-6-18/h2-3,10H,4-9H2,1H3,(H,17,19).
What are the key properties of methyl 4-chloro-3-(3-morpholin-4-ylsulfonylpropanoylamino)benzoate?
methyl 4-chloro-3-(3-morpholin-4-ylsulfonylpropanoylamino)benzoate has a molecular weight of 390.85 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-(3-morpholin-4-ylsulfonylpropanoylamino)benzoate is sourced from PubChem (CID 110296154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).