methyl 4-[(2-carbamoylphenyl)sulfamoyl]benzoate

C15H14N2O5S — CID 17485240

IUPACmethyl 4-[(2-carbamoylphenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)cc1
InChIInChI=1S/C15H14N2O5S/c1-22-15(19)10-6-8-11(9-7-10)23(20,21)17-13-5-3-2-4-12(13)14(16)18/h2-9,17H,1H3,(H2,16,18)
InChIKeyWJUQZWZXWRJEFT-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.37
Rot. Bonds5

About methyl 4-[(2-carbamoylphenyl)sulfamoyl]benzoate

methyl 4-[(2-carbamoylphenyl)sulfamoyl]benzoate (PubChem CID 17485240) has the molecular formula C15H14N2O5S and a molecular weight of 334.35 g/mol. Its IUPAC name is methyl 4-[(2-carbamoylphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-carbamoylphenyl)sulfamoyl]benzoate
PubChem CID17485240
Molecular FormulaC15H14N2O5S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC Namemethyl 4-[(2-carbamoylphenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)cc1
InChIInChI=1S/C15H14N2O5S/c1-22-15(19)10-6-8-11(9-7-10)23(20,21)17-13-5-3-2-4-12(13)14(16)18/h2-9,17H,1H3,(H2,16,18)
InChIKeyWJUQZWZXWRJEFT-UHFFFAOYSA-N
XLogP1.37
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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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Related Compounds

2-[(4-phenoxyphenyl)sulfonylamino]benzamide
CID 46763886
methyl 4-[[2-(cyclopentylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 17496883
methyl 2-[(4-iodophenyl)sulfonylamino]benzoate
CID 43423372
methyl 2-[[4-(cyclopropanecarbonyl)phenyl]sulfonylamino]benzoate
CID 110424063
2-[(4-carbamoylphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
CID 18100692
2-[(4-butylphenyl)sulfonylamino]benzamide
CID 3869387
ethyl 4-[[2-(2-methoxyethylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 31754196
2-[(4-carboxyphenyl)sulfonylamino]benzoic acid
CID 763907
methyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]benzoate
CID 110756559
2-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzamide
CID 1325152
2-[(3,4-diethoxyphenyl)sulfonylamino]benzamide
CID 9055880
methyl 2-[[4-(butan-2-ylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 109059083

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-carbamoylphenyl)sulfamoyl]benzoate?
The IUPAC name of methyl 4-[(2-carbamoylphenyl)sulfamoyl]benzoate (CID 17485240) is methyl 4-[(2-carbamoylphenyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[(2-carbamoylphenyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[(2-carbamoylphenyl)sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)cc1.
What is the InChIKey of methyl 4-[(2-carbamoylphenyl)sulfamoyl]benzoate?
The InChIKey is WJUQZWZXWRJEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5S/c1-22-15(19)10-6-8-11(9-7-10)23(20,21)17-13-5-3-2-4-12(13)14(16)18/h2-9,17H,1H3,(H2,16,18).
What are the key properties of methyl 4-[(2-carbamoylphenyl)sulfamoyl]benzoate?
methyl 4-[(2-carbamoylphenyl)sulfamoyl]benzoate has a molecular weight of 334.35 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-carbamoylphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 17485240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).