methyl 4-[(2-aminophenyl)sulfonylamino]benzoate

C14H14N2O4S — CID 28590095

IUPACmethyl 4-[(2-aminophenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2ccccc2N)cc1
InChIInChI=1S/C14H14N2O4S/c1-20-14(17)10-6-8-11(9-7-10)16-21(18,19)13-5-3-2-4-12(13)15/h2-9,16H,15H2,1H3
InChIKeyUZFVQCPQBZRYTM-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.86
Rot. Bonds4

About methyl 4-[(2-aminophenyl)sulfonylamino]benzoate

methyl 4-[(2-aminophenyl)sulfonylamino]benzoate (PubChem CID 28590095) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is methyl 4-[(2-aminophenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-aminophenyl)sulfonylamino]benzoate
PubChem CID28590095
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Namemethyl 4-[(2-aminophenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2ccccc2N)cc1
InChIInChI=1S/C14H14N2O4S/c1-20-14(17)10-6-8-11(9-7-10)16-21(18,19)13-5-3-2-4-12(13)15/h2-9,16H,15H2,1H3
InChIKeyUZFVQCPQBZRYTM-UHFFFAOYSA-N
XLogP1.86
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[(2,3-diaminophenyl)sulfonylamino]benzoate
CID 90419987
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methyl 4-[(2-aminopyrimidin-5-yl)sulfonylamino]benzoate
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N-[4-[(2-aminophenyl)sulfonylamino]phenyl]-3-chloro-2,2-dimethylpropanamide
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methyl 4-[[2-(benzylsulfonylcarbamoylamino)phenyl]sulfonylamino]benzoate
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methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate
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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-aminophenyl)sulfonylamino]benzoate?
The IUPAC name of methyl 4-[(2-aminophenyl)sulfonylamino]benzoate (CID 28590095) is methyl 4-[(2-aminophenyl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 4-[(2-aminophenyl)sulfonylamino]benzoate?
The canonical SMILES for methyl 4-[(2-aminophenyl)sulfonylamino]benzoate is COC(=O)c1ccc(NS(=O)(=O)c2ccccc2N)cc1.
What is the InChIKey of methyl 4-[(2-aminophenyl)sulfonylamino]benzoate?
The InChIKey is UZFVQCPQBZRYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-20-14(17)10-6-8-11(9-7-10)16-21(18,19)13-5-3-2-4-12(13)15/h2-9,16H,15H2,1H3.
What are the key properties of methyl 4-[(2-aminophenyl)sulfonylamino]benzoate?
methyl 4-[(2-aminophenyl)sulfonylamino]benzoate has a molecular weight of 306.34 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-aminophenyl)sulfonylamino]benzoate is sourced from PubChem (CID 28590095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).