methyl 3-(morpholin-3-ylmethylsulfamoyl)benzoate

C13H18N2O5S — CID 103548901

IUPACmethyl 3-(morpholin-3-ylmethylsulfamoyl)benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)NCC2COCCN2)c1
InChIInChI=1S/C13H18N2O5S/c1-19-13(16)10-3-2-4-12(7-10)21(17,18)15-8-11-9-20-6-5-14-11/h2-4,7,11,14-15H,5-6,8-9H2,1H3
InChIKeyOPPTWWRCANPTKC-UHFFFAOYSA-N
MW314.36 g/mol
LogP-0.26
Rot. Bonds5

About methyl 3-(morpholin-3-ylmethylsulfamoyl)benzoate

methyl 3-(morpholin-3-ylmethylsulfamoyl)benzoate (PubChem CID 103548901) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is methyl 3-(morpholin-3-ylmethylsulfamoyl)benzoate.

Molecular Properties

Compound Namemethyl 3-(morpholin-3-ylmethylsulfamoyl)benzoate
PubChem CID103548901
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Namemethyl 3-(morpholin-3-ylmethylsulfamoyl)benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)NCC2COCCN2)c1
InChIInChI=1S/C13H18N2O5S/c1-19-13(16)10-3-2-4-12(7-10)21(17,18)15-8-11-9-20-6-5-14-11/h2-4,7,11,14-15H,5-6,8-9H2,1H3
InChIKeyOPPTWWRCANPTKC-UHFFFAOYSA-N
XLogP-0.26
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(pyrrolidin-2-ylmethylsulfamoyl)benzoate
CID 62540597
1-methyl-4-(morpholin-3-ylmethylsulfamoyl)pyrrole-2-carboxamide
CID 103549022
methyl 3-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]benzoate;hydrochloride
CID 120666424
methyl 3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfamoyl]benzoate
CID 31758735
3-propanoyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974575
N-(morpholin-3-ylmethyl)-4-propylbenzenesulfonamide
CID 103548867
methyl 3-[[(3S)-morpholin-3-yl]methyl]-1H-indole-6-carboxylate
CID 67187780
4-chloro-2-methoxy-N-(morpholin-3-ylmethyl)benzenesulfonamide
CID 103549019
2,5-difluoro-N-(morpholin-3-ylmethyl)benzenesulfonamide
CID 103548886
3-[(3-methoxycarbonylphenyl)sulfonylamino]propanoic acid
CID 43093020
methyl 3-(prop-2-enylsulfamoyl)benzoate
CID 60624016
methyl 3-(2-methylprop-2-enylsulfamoyl)benzoate
CID 114616574

Frequently Asked Questions

What is the IUPAC name of methyl 3-(morpholin-3-ylmethylsulfamoyl)benzoate?
The IUPAC name of methyl 3-(morpholin-3-ylmethylsulfamoyl)benzoate (CID 103548901) is methyl 3-(morpholin-3-ylmethylsulfamoyl)benzoate.
What is the SMILES notation for methyl 3-(morpholin-3-ylmethylsulfamoyl)benzoate?
The canonical SMILES for methyl 3-(morpholin-3-ylmethylsulfamoyl)benzoate is COC(=O)c1cccc(S(=O)(=O)NCC2COCCN2)c1.
What is the InChIKey of methyl 3-(morpholin-3-ylmethylsulfamoyl)benzoate?
The InChIKey is OPPTWWRCANPTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-19-13(16)10-3-2-4-12(7-10)21(17,18)15-8-11-9-20-6-5-14-11/h2-4,7,11,14-15H,5-6,8-9H2,1H3.
What are the key properties of methyl 3-(morpholin-3-ylmethylsulfamoyl)benzoate?
methyl 3-(morpholin-3-ylmethylsulfamoyl)benzoate has a molecular weight of 314.36 g/mol, XLogP of -0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(morpholin-3-ylmethylsulfamoyl)benzoate is sourced from PubChem (CID 103548901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).