3-(phenylmethoxysulfamoyl)benzoate

C14H12NO5S- — CID 2529533

IUPAC3-(phenylmethoxysulfamoyl)benzoate
SMILESO=C([O-])c1cccc(S(=O)(=O)NOCc2ccccc2)c1
InChIInChI=1S/C14H13NO5S/c16-14(17)12-7-4-8-13(9-12)21(18,19)15-20-10-11-5-2-1-3-6-11/h1-9,15H,10H2,(H,16,17)/p-1
InChIKeyWEBVGKZVLZQEJS-UHFFFAOYSA-M
MW306.32 g/mol
LogP0.46
Rot. Bonds6

About 3-(phenylmethoxysulfamoyl)benzoate

3-(phenylmethoxysulfamoyl)benzoate (PubChem CID 2529533) has the molecular formula C14H12NO5S- and a molecular weight of 306.32 g/mol. Its IUPAC name is 3-(phenylmethoxysulfamoyl)benzoate.

Molecular Properties

Compound Name3-(phenylmethoxysulfamoyl)benzoate
PubChem CID2529533
Molecular FormulaC14H12NO5S-
Molecular Weight306.32 g/mol
Exact Mass306.04
IUPAC Name3-(phenylmethoxysulfamoyl)benzoate
SMILESO=C([O-])c1cccc(S(=O)(=O)NOCc2ccccc2)c1
InChIInChI=1S/C14H13NO5S/c16-14(17)12-7-4-8-13(9-12)21(18,19)15-20-10-11-5-2-1-3-6-11/h1-9,15H,10H2,(H,16,17)/p-1
InChIKeyWEBVGKZVLZQEJS-UHFFFAOYSA-M
XLogP0.46
TPSA95.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-phenylmethoxybenzenesulfonamide
CID 45378388
3-[(4-bromophenyl)sulfamoyl]-N-phenylmethoxybenzamide
CID 51476076
3-[(2-fluorophenyl)sulfamoyl]-N-phenylmethoxybenzamide
CID 55408815
3-[(3-carboxylatophenyl)sulfonylamino]benzoate
CID 4517286
3-[(4-phenyldiazenylphenyl)sulfamoyl]benzoate
CID 7573875
3-[[3-(phenylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 4100122
3-(3-methoxypropylsulfamoyl)benzoate
CID 36691372
3-[(4-bromophenyl)sulfonylamino]-N-phenylmethoxybenzamide
CID 26372769
3-acetyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide
CID 39665559
3-acetyl-N-(2-methylpropoxy)benzenesulfonamide
CID 82715915
5-bromo-N-phenylmethoxypyridine-3-sulfonamide
CID 64973868
3-[(4-ethoxyphenyl)sulfamoyl]benzoate
CID 7040417

Frequently Asked Questions

What is the IUPAC name of 3-(phenylmethoxysulfamoyl)benzoate?
The IUPAC name of 3-(phenylmethoxysulfamoyl)benzoate (CID 2529533) is 3-(phenylmethoxysulfamoyl)benzoate.
What is the SMILES notation for 3-(phenylmethoxysulfamoyl)benzoate?
The canonical SMILES for 3-(phenylmethoxysulfamoyl)benzoate is O=C([O-])c1cccc(S(=O)(=O)NOCc2ccccc2)c1.
What is the InChIKey of 3-(phenylmethoxysulfamoyl)benzoate?
The InChIKey is WEBVGKZVLZQEJS-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H13NO5S/c16-14(17)12-7-4-8-13(9-12)21(18,19)15-20-10-11-5-2-1-3-6-11/h1-9,15H,10H2,(H,16,17)/p-1.
What are the key properties of 3-(phenylmethoxysulfamoyl)benzoate?
3-(phenylmethoxysulfamoyl)benzoate has a molecular weight of 306.32 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylmethoxysulfamoyl)benzoate is sourced from PubChem (CID 2529533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).