methyl 2-[(2-carbamoylphenyl)carbamoylsulfamoyl]benzoate

C16H15N3O6S — CID 110190793

IUPACmethyl 2-[(2-carbamoylphenyl)carbamoylsulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C16H15N3O6S/c1-25-15(21)11-7-3-5-9-13(11)26(23,24)19-16(22)18-12-8-4-2-6-10(12)14(17)20/h2-9H,1H3,(H2,17,20)(H2,18,19,22)
InChIKeyLAKMAJYCQMYSHY-UHFFFAOYSA-N
MW377.38 g/mol
LogP1.08
Rot. Bonds5

About methyl 2-[(2-carbamoylphenyl)carbamoylsulfamoyl]benzoate

methyl 2-[(2-carbamoylphenyl)carbamoylsulfamoyl]benzoate (PubChem CID 110190793) has the molecular formula C16H15N3O6S and a molecular weight of 377.38 g/mol. Its IUPAC name is methyl 2-[(2-carbamoylphenyl)carbamoylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-carbamoylphenyl)carbamoylsulfamoyl]benzoate
PubChem CID110190793
Molecular FormulaC16H15N3O6S
Molecular Weight377.38 g/mol
Exact Mass377.07
IUPAC Namemethyl 2-[(2-carbamoylphenyl)carbamoylsulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C16H15N3O6S/c1-25-15(21)11-7-3-5-9-13(11)26(23,24)19-16(22)18-12-8-4-2-6-10(12)14(17)20/h2-9H,1H3,(H2,17,20)(H2,18,19,22)
InChIKeyLAKMAJYCQMYSHY-UHFFFAOYSA-N
XLogP1.08
TPSA144.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(pyrimidin-2-ylcarbamoylsulfamoyl)benzoate
CID 13176579
methyl 2-[(4-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
CID 19812309
methyl 2-[(2-aminoacetyl)sulfamoyl]benzoate
CID 68846024
lithium;hydride;methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
CID 173024581
methyl 2-[(2,6-dimethylpyrimidin-4-yl)carbamoylsulfamoyl]benzoate
CID 13176760
4-[(2-methoxycarbonylphenyl)sulfonylamino]-4-oxobutanoic acid
CID 101190058
methyl 2-[(4-methoxy-1,6-dimethyl-2H-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
CID 67914206
methyl 2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
CID 146679051
methyl 2-[(2-methylpropan-2-yl)oxycarbamoylamino]benzoate
CID 87422659
methyl 2-(phenylsulfamoyl)benzoate
CID 7939210
methyl 2-(2-aminoethylsulfamoyl)benzoate
CID 43603433
methyl 2-[[5-(difluoromethoxy)-1-methyl-1,2,4-triazol-3-yl]carbamoylsulfamoyl]benzoate
CID 70444923

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-carbamoylphenyl)carbamoylsulfamoyl]benzoate?
The IUPAC name of methyl 2-[(2-carbamoylphenyl)carbamoylsulfamoyl]benzoate (CID 110190793) is methyl 2-[(2-carbamoylphenyl)carbamoylsulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[(2-carbamoylphenyl)carbamoylsulfamoyl]benzoate?
The canonical SMILES for methyl 2-[(2-carbamoylphenyl)carbamoylsulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of methyl 2-[(2-carbamoylphenyl)carbamoylsulfamoyl]benzoate?
The InChIKey is LAKMAJYCQMYSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O6S/c1-25-15(21)11-7-3-5-9-13(11)26(23,24)19-16(22)18-12-8-4-2-6-10(12)14(17)20/h2-9H,1H3,(H2,17,20)(H2,18,19,22).
What are the key properties of methyl 2-[(2-carbamoylphenyl)carbamoylsulfamoyl]benzoate?
methyl 2-[(2-carbamoylphenyl)carbamoylsulfamoyl]benzoate has a molecular weight of 377.38 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-carbamoylphenyl)carbamoylsulfamoyl]benzoate is sourced from PubChem (CID 110190793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).