methyl 2-(methoxycarbonylsulfamoylamino)benzoate

C10H12N2O6S — CID 115872550

IUPACmethyl 2-(methoxycarbonylsulfamoylamino)benzoate
SMILESCOC(=O)NS(=O)(=O)Nc1ccccc1C(=O)OC
InChIInChI=1S/C10H12N2O6S/c1-17-9(13)7-5-3-4-6-8(7)11-19(15,16)12-10(14)18-2/h3-6,11H,1-2H3,(H,12,14)
InChIKeyKNFNZJMKAJPVOW-UHFFFAOYSA-N
MW288.28 g/mol
LogP0.49
Rot. Bonds4

About methyl 2-(methoxycarbonylsulfamoylamino)benzoate

methyl 2-(methoxycarbonylsulfamoylamino)benzoate (PubChem CID 115872550) has the molecular formula C10H12N2O6S and a molecular weight of 288.28 g/mol. Its IUPAC name is methyl 2-(methoxycarbonylsulfamoylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-(methoxycarbonylsulfamoylamino)benzoate
PubChem CID115872550
Molecular FormulaC10H12N2O6S
Molecular Weight288.28 g/mol
Exact Mass288.04
IUPAC Namemethyl 2-(methoxycarbonylsulfamoylamino)benzoate
SMILESCOC(=O)NS(=O)(=O)Nc1ccccc1C(=O)OC
InChIInChI=1S/C10H12N2O6S/c1-17-9(13)7-5-3-4-6-8(7)11-19(15,16)12-10(14)18-2/h3-6,11H,1-2H3,(H,12,14)
InChIKeyKNFNZJMKAJPVOW-UHFFFAOYSA-N
XLogP0.49
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(2-methoxycarbonylphenyl)sulfamoylmethylsulfonylamino]benzoate
CID 91721090
methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]benzoate
CID 13456603
methyl N-[(2-methyl-3-sulfamoylphenyl)sulfamoyl]carbamate
CID 114465998
methyl N-[(2-benzoyl-4-chlorophenyl)sulfamoyl]carbamate
CID 110193413
methyl 2-[(4-iodophenyl)sulfonylamino]benzoate
CID 43423372
5-hydroxy-2-(methoxycarbonylsulfamoylamino)benzoic acid
CID 114462428
2-(methoxycarbonylsulfamoylamino)-5-methylbenzoic acid
CID 113343908
methyl 2-[(2-methoxyphenyl)sulfonylamino]benzoate
CID 110757322
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-(methylamino)benzoate;hydrochloride
CID 141440626
methyl 2-hydrazinylbenzoate;hydrochloride
CID 71758151
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666

Frequently Asked Questions

What is the IUPAC name of methyl 2-(methoxycarbonylsulfamoylamino)benzoate?
The IUPAC name of methyl 2-(methoxycarbonylsulfamoylamino)benzoate (CID 115872550) is methyl 2-(methoxycarbonylsulfamoylamino)benzoate.
What is the SMILES notation for methyl 2-(methoxycarbonylsulfamoylamino)benzoate?
The canonical SMILES for methyl 2-(methoxycarbonylsulfamoylamino)benzoate is COC(=O)NS(=O)(=O)Nc1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-(methoxycarbonylsulfamoylamino)benzoate?
The InChIKey is KNFNZJMKAJPVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O6S/c1-17-9(13)7-5-3-4-6-8(7)11-19(15,16)12-10(14)18-2/h3-6,11H,1-2H3,(H,12,14).
What are the key properties of methyl 2-(methoxycarbonylsulfamoylamino)benzoate?
methyl 2-(methoxycarbonylsulfamoylamino)benzoate has a molecular weight of 288.28 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methoxycarbonylsulfamoylamino)benzoate is sourced from PubChem (CID 115872550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).