methyl 4-[(4-sulfamoylphenyl)carbamoyl]benzoate

C15H14N2O5S — CID 9314416

IUPACmethyl 4-[(4-sulfamoylphenyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C15H14N2O5S/c1-22-15(19)11-4-2-10(3-5-11)14(18)17-12-6-8-13(9-7-12)23(16,20)21/h2-9H,1H3,(H,17,18)(H2,16,20,21)
InChIKeyOXUFWOPUMULABQ-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.37
Rot. Bonds4

About methyl 4-[(4-sulfamoylphenyl)carbamoyl]benzoate

methyl 4-[(4-sulfamoylphenyl)carbamoyl]benzoate (PubChem CID 9314416) has the molecular formula C15H14N2O5S and a molecular weight of 334.35 g/mol. Its IUPAC name is methyl 4-[(4-sulfamoylphenyl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-sulfamoylphenyl)carbamoyl]benzoate
PubChem CID9314416
Molecular FormulaC15H14N2O5S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC Namemethyl 4-[(4-sulfamoylphenyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C15H14N2O5S/c1-22-15(19)11-4-2-10(3-5-11)14(18)17-12-6-8-13(9-7-12)23(16,20)21/h2-9H,1H3,(H,17,18)(H2,16,20,21)
InChIKeyOXUFWOPUMULABQ-UHFFFAOYSA-N
XLogP1.37
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-sulfamoylphenyl)carbamoyl]benzoate?
The IUPAC name of methyl 4-[(4-sulfamoylphenyl)carbamoyl]benzoate (CID 9314416) is methyl 4-[(4-sulfamoylphenyl)carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[(4-sulfamoylphenyl)carbamoyl]benzoate?
The canonical SMILES for methyl 4-[(4-sulfamoylphenyl)carbamoyl]benzoate is COC(=O)c1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of methyl 4-[(4-sulfamoylphenyl)carbamoyl]benzoate?
The InChIKey is OXUFWOPUMULABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5S/c1-22-15(19)11-4-2-10(3-5-11)14(18)17-12-6-8-13(9-7-12)23(16,20)21/h2-9H,1H3,(H,17,18)(H2,16,20,21).
What are the key properties of methyl 4-[(4-sulfamoylphenyl)carbamoyl]benzoate?
methyl 4-[(4-sulfamoylphenyl)carbamoyl]benzoate has a molecular weight of 334.35 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-sulfamoylphenyl)carbamoyl]benzoate is sourced from PubChem (CID 9314416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).