methyl 2-[[(4-methoxybenzoyl)amino]sulfamoyl]benzoate

C16H16N2O6S — CID 8615357

IUPACmethyl 2-[[(4-methoxybenzoyl)amino]sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H16N2O6S/c1-23-12-9-7-11(8-10-12)15(19)17-18-25(21,22)14-6-4-3-5-13(14)16(20)24-2/h3-10,18H,1-2H3,(H,17,19)
InChIKeyXQYQTTNNXKZJGU-UHFFFAOYSA-N
MW364.38 g/mol
LogP1.11
Rot. Bonds6

About methyl 2-[[(4-methoxybenzoyl)amino]sulfamoyl]benzoate

methyl 2-[[(4-methoxybenzoyl)amino]sulfamoyl]benzoate (PubChem CID 8615357) has the molecular formula C16H16N2O6S and a molecular weight of 364.38 g/mol. Its IUPAC name is methyl 2-[[(4-methoxybenzoyl)amino]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[(4-methoxybenzoyl)amino]sulfamoyl]benzoate
PubChem CID8615357
Molecular FormulaC16H16N2O6S
Molecular Weight364.38 g/mol
Exact Mass364.07
IUPAC Namemethyl 2-[[(4-methoxybenzoyl)amino]sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H16N2O6S/c1-23-12-9-7-11(8-10-12)15(19)17-18-25(21,22)14-6-4-3-5-13(14)16(20)24-2/h3-10,18H,1-2H3,(H,17,19)
InChIKeyXQYQTTNNXKZJGU-UHFFFAOYSA-N
XLogP1.11
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-bromophenyl)sulfonyl-4-methoxybenzohydrazide
CID 8615398
N'-(benzenesulfonyl)-4-methoxybenzohydrazide
CID 795528
methyl 2-[(propanoylamino)sulfamoyl]benzoate
CID 8505481
N'-(2-methoxyphenyl)sulfonylbenzohydrazide
CID 51170282
methyl 2-[(cyclopropanecarbonylamino)sulfamoyl]benzoate
CID 8523828
dimethyl 2-[[(4-bromobenzoyl)amino]sulfamoyl]benzene-1,4-dicarboxylate
CID 26951548
2-chloro-N'-(4-methoxybenzoyl)benzohydrazide
CID 2170875
N-[4-[[(4-methoxybenzoyl)amino]sulfamoyl]phenyl]acetamide
CID 3390773
methyl 2-[[[N'-(2-methoxycarbonylphenyl)sulfonyl-N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamimidoyl]amino]sulfamoyl]benzoate
CID 67905489
methyl 2-(phenylsulfamoyl)benzoate
CID 7939210
2-benzoyl-N'-(4-methoxybenzoyl)benzohydrazide
CID 585519
methyl 2-[(2-aminoacetyl)sulfamoyl]benzoate
CID 68846024

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(4-methoxybenzoyl)amino]sulfamoyl]benzoate?
The IUPAC name of methyl 2-[[(4-methoxybenzoyl)amino]sulfamoyl]benzoate (CID 8615357) is methyl 2-[[(4-methoxybenzoyl)amino]sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[[(4-methoxybenzoyl)amino]sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[[(4-methoxybenzoyl)amino]sulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)NNC(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 2-[[(4-methoxybenzoyl)amino]sulfamoyl]benzoate?
The InChIKey is XQYQTTNNXKZJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O6S/c1-23-12-9-7-11(8-10-12)15(19)17-18-25(21,22)14-6-4-3-5-13(14)16(20)24-2/h3-10,18H,1-2H3,(H,17,19).
What are the key properties of methyl 2-[[(4-methoxybenzoyl)amino]sulfamoyl]benzoate?
methyl 2-[[(4-methoxybenzoyl)amino]sulfamoyl]benzoate has a molecular weight of 364.38 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(4-methoxybenzoyl)amino]sulfamoyl]benzoate is sourced from PubChem (CID 8615357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).