4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]sulfamoyl]benzoate

C19H15N2O6S- — CID 8603467

IUPAC4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]sulfamoyl]benzoate
SMILESO=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H16N2O6S/c22-18(20-12-14-4-3-11-27-14)16-5-1-2-6-17(16)21-28(25,26)15-9-7-13(8-10-15)19(23)24/h1-11,21H,12H2,(H,20,22)(H,23,24)/p-1
InChIKeyGOUZQINHTHMKOU-UHFFFAOYSA-M
MW399.40 g/mol
LogP1.37
Rot. Bonds7

About 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]sulfamoyl]benzoate

4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]sulfamoyl]benzoate (PubChem CID 8603467) has the molecular formula C19H15N2O6S- and a molecular weight of 399.40 g/mol. Its IUPAC name is 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]sulfamoyl]benzoate.

Molecular Properties

Compound Name4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]sulfamoyl]benzoate
PubChem CID8603467
Molecular FormulaC19H15N2O6S-
Molecular Weight399.40 g/mol
Exact Mass399.07
IUPAC Name4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]sulfamoyl]benzoate
SMILESO=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H16N2O6S/c22-18(20-12-14-4-3-11-27-14)16-5-1-2-6-17(16)21-28(25,26)15-9-7-13(8-10-15)19(23)24/h1-11,21H,12H2,(H,20,22)(H,23,24)/p-1
InChIKeyGOUZQINHTHMKOU-UHFFFAOYSA-M
XLogP1.37
TPSA128.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 1112090
2-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 34647496
N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)sulfonylamino]benzamide
CID 51170390
N-(furan-2-ylmethyl)-2-[(4-methoxy-3-nitrophenyl)sulfonylamino]benzamide
CID 26982526
4-(benzenesulfonamido)-N-(furan-2-ylmethyl)benzamide
CID 2982615
2-[(5-benzamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide
CID 100549501
N-(furan-2-ylmethyl)-2-[(4-phenylbenzoyl)amino]benzamide
CID 989147
2-(benzenesulfonamido)-N-benzylbenzamide
CID 1320833
4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4234401
2-[(4-chlorophenyl)sulfonylamino]-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 55620142
dimethyl 5-[[2-(furan-2-ylmethylcarbamoyl)phenyl]sulfamoyl]-3-methylthiophene-2,4-dicarboxylate
CID 2099861
N-(furan-2-ylmethyl)-4-sulfamoylbenzamide
CID 10356308

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]sulfamoyl]benzoate?
The IUPAC name of 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]sulfamoyl]benzoate (CID 8603467) is 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]sulfamoyl]benzoate.
What is the SMILES notation for 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]sulfamoyl]benzoate?
The canonical SMILES for 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]sulfamoyl]benzoate is O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1.
What is the InChIKey of 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]sulfamoyl]benzoate?
The InChIKey is GOUZQINHTHMKOU-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H16N2O6S/c22-18(20-12-14-4-3-11-27-14)16-5-1-2-6-17(16)21-28(25,26)15-9-7-13(8-10-15)19(23)24/h1-11,21H,12H2,(H,20,22)(H,23,24)/p-1.
What are the key properties of 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]sulfamoyl]benzoate?
4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]sulfamoyl]benzoate has a molecular weight of 399.40 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]sulfamoyl]benzoate is sourced from PubChem (CID 8603467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).