methyl 4-[(3-sulfamoylphenyl)carbamoyl]benzoate

C15H14N2O5S — CID 24854952

IUPACmethyl 4-[(3-sulfamoylphenyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C15H14N2O5S/c1-22-15(19)11-7-5-10(6-8-11)14(18)17-12-3-2-4-13(9-12)23(16,20)21/h2-9H,1H3,(H,17,18)(H2,16,20,21)
InChIKeyOEQCELWPGCAQDV-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.37
Rot. Bonds4

About methyl 4-[(3-sulfamoylphenyl)carbamoyl]benzoate

methyl 4-[(3-sulfamoylphenyl)carbamoyl]benzoate (PubChem CID 24854952) has the molecular formula C15H14N2O5S and a molecular weight of 334.35 g/mol. Its IUPAC name is methyl 4-[(3-sulfamoylphenyl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(3-sulfamoylphenyl)carbamoyl]benzoate
PubChem CID24854952
Molecular FormulaC15H14N2O5S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC Namemethyl 4-[(3-sulfamoylphenyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C15H14N2O5S/c1-22-15(19)11-7-5-10(6-8-11)14(18)17-12-3-2-4-13(9-12)23(16,20)21/h2-9H,1H3,(H,17,18)(H2,16,20,21)
InChIKeyOEQCELWPGCAQDV-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-[(3-sulfamoylphenyl)carbamoyl]benzoate?
The IUPAC name of methyl 4-[(3-sulfamoylphenyl)carbamoyl]benzoate (CID 24854952) is methyl 4-[(3-sulfamoylphenyl)carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[(3-sulfamoylphenyl)carbamoyl]benzoate?
The canonical SMILES for methyl 4-[(3-sulfamoylphenyl)carbamoyl]benzoate is COC(=O)c1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1.
What is the InChIKey of methyl 4-[(3-sulfamoylphenyl)carbamoyl]benzoate?
The InChIKey is OEQCELWPGCAQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5S/c1-22-15(19)11-7-5-10(6-8-11)14(18)17-12-3-2-4-13(9-12)23(16,20)21/h2-9H,1H3,(H,17,18)(H2,16,20,21).
What are the key properties of methyl 4-[(3-sulfamoylphenyl)carbamoyl]benzoate?
methyl 4-[(3-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-[(3-sulfamoylphenyl)carbamoyl]benzoate is sourced from PubChem (CID 24854952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).