4-[(2,5-dimethoxyphenyl)sulfamoyl]benzoate

C15H14NO6S- — CID 4060147

IUPAC4-[(2,5-dimethoxyphenyl)sulfamoyl]benzoate
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1
InChIInChI=1S/C15H15NO6S/c1-21-11-5-8-14(22-2)13(9-11)16-23(19,20)12-6-3-10(4-7-12)15(17)18/h3-9,16H,1-2H3,(H,17,18)/p-1
InChIKeyQBXLRDDXGGQAPR-UHFFFAOYSA-M
MW336.35 g/mol
LogP0.87
Rot. Bonds6

About 4-[(2,5-dimethoxyphenyl)sulfamoyl]benzoate

4-[(2,5-dimethoxyphenyl)sulfamoyl]benzoate (PubChem CID 4060147) has the molecular formula C15H14NO6S- and a molecular weight of 336.35 g/mol. Its IUPAC name is 4-[(2,5-dimethoxyphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name4-[(2,5-dimethoxyphenyl)sulfamoyl]benzoate
PubChem CID4060147
Molecular FormulaC15H14NO6S-
Molecular Weight336.35 g/mol
Exact Mass336.05
IUPAC Name4-[(2,5-dimethoxyphenyl)sulfamoyl]benzoate
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1
InChIInChI=1S/C15H15NO6S/c1-21-11-5-8-14(22-2)13(9-11)16-23(19,20)12-6-3-10(4-7-12)15(17)18/h3-9,16H,1-2H3,(H,17,18)/p-1
InChIKeyQBXLRDDXGGQAPR-UHFFFAOYSA-M
XLogP0.87
TPSA104.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 3707700
N-(2,5-dimethoxyphenyl)-3,5-dimethoxybenzenesulfonamide
CID 24989180
4-(aminomethyl)-N-(2,5-dimethoxyphenyl)benzenesulfonamide;hydrochloride
CID 172999625
ethyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate
CID 126118135
1-(diaminomethylidene)-2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]guanidine
CID 168603610
N-(2,5-dimethoxyphenyl)naphthalene-2-sulfonamide
CID 823335
3-[[4-[4-[(5-carboxy-2-methoxyphenyl)sulfamoyl]phenyl]phenyl]sulfonylamino]-4-methoxybenzoic acid
CID 11308016
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide
CID 126412231
4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 4126284
N-(2,5-dimethoxyphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
CID 100657262
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-iodobenzamide
CID 100513297
N-(5-acetyl-2-methoxyphenyl)-4-fluorobenzenesulfonamide
CID 82156500

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethoxyphenyl)sulfamoyl]benzoate?
The IUPAC name of 4-[(2,5-dimethoxyphenyl)sulfamoyl]benzoate (CID 4060147) is 4-[(2,5-dimethoxyphenyl)sulfamoyl]benzoate.
What is the SMILES notation for 4-[(2,5-dimethoxyphenyl)sulfamoyl]benzoate?
The canonical SMILES for 4-[(2,5-dimethoxyphenyl)sulfamoyl]benzoate is COc1ccc(OC)c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1.
What is the InChIKey of 4-[(2,5-dimethoxyphenyl)sulfamoyl]benzoate?
The InChIKey is QBXLRDDXGGQAPR-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H15NO6S/c1-21-11-5-8-14(22-2)13(9-11)16-23(19,20)12-6-3-10(4-7-12)15(17)18/h3-9,16H,1-2H3,(H,17,18)/p-1.
What are the key properties of 4-[(2,5-dimethoxyphenyl)sulfamoyl]benzoate?
4-[(2,5-dimethoxyphenyl)sulfamoyl]benzoate has a molecular weight of 336.35 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethoxyphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 4060147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).