4-benzamido-2,5-dimethoxybenzenesulfonic acid

C15H15NO6S — CID 102438408

IUPAC4-benzamido-2,5-dimethoxybenzenesulfonic acid
SMILESCOc1cc(S(=O)(=O)O)c(OC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C15H15NO6S/c1-21-12-9-14(23(18,19)20)13(22-2)8-11(12)16-15(17)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,17)(H,18,19,20)
InChIKeyISGDVHDPGUNQPZ-UHFFFAOYSA-N
MW337.35 g/mol
LogP2.20
Rot. Bonds5

About 4-benzamido-2,5-dimethoxybenzenesulfonic acid

4-benzamido-2,5-dimethoxybenzenesulfonic acid (PubChem CID 102438408) has the molecular formula C15H15NO6S and a molecular weight of 337.35 g/mol. Its IUPAC name is 4-benzamido-2,5-dimethoxybenzenesulfonic acid.

Molecular Properties

Compound Name4-benzamido-2,5-dimethoxybenzenesulfonic acid
PubChem CID102438408
Molecular FormulaC15H15NO6S
Molecular Weight337.35 g/mol
Exact Mass337.06
IUPAC Name4-benzamido-2,5-dimethoxybenzenesulfonic acid
SMILESCOc1cc(S(=O)(=O)O)c(OC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C15H15NO6S/c1-21-12-9-14(23(18,19)20)13(22-2)8-11(12)16-15(17)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,17)(H,18,19,20)
InChIKeyISGDVHDPGUNQPZ-UHFFFAOYSA-N
XLogP2.20
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 4-benzamido-2,5-dimethoxybenzenesulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-[4-(fluoroamino)-2,5-dimethoxyphenyl]benzamide
CID 142075014
N-[4-(3,3-dimethylbutanoylamino)-2,5-dimethoxyphenyl]benzamide
CID 40521638
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
N-(4-amino-2,5-dimethoxyphenyl)benzamide;ethane;molecular hydrogen
CID 142075017
3-benzamido-4-methoxybenzenesulfonyl chloride
CID 43140030
N-(2-methoxy-5-sulfamoylphenyl)benzamide
CID 2985802
N-[4-(ethylcarbamothioylamino)-2,5-dimethoxyphenyl]benzamide
CID 8660271
N-(4-benzamido-2,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 42089647
N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]benzamide
CID 19187598
N-[5-methoxy-2-methyl-4-(phenylcarbamoylamino)phenyl]benzamide
CID 3546373
N-(4-benzamido-2,5-dimethoxyphenyl)-2-(trifluoromethyl)benzamide
CID 16551146

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-2,5-dimethoxybenzenesulfonic acid?
The IUPAC name of 4-benzamido-2,5-dimethoxybenzenesulfonic acid (CID 102438408) is 4-benzamido-2,5-dimethoxybenzenesulfonic acid.
What is the SMILES notation for 4-benzamido-2,5-dimethoxybenzenesulfonic acid?
The canonical SMILES for 4-benzamido-2,5-dimethoxybenzenesulfonic acid is COc1cc(S(=O)(=O)O)c(OC)cc1NC(=O)c1ccccc1.
What is the InChIKey of 4-benzamido-2,5-dimethoxybenzenesulfonic acid?
The InChIKey is ISGDVHDPGUNQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO6S/c1-21-12-9-14(23(18,19)20)13(22-2)8-11(12)16-15(17)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,17)(H,18,19,20).
What are the key properties of 4-benzamido-2,5-dimethoxybenzenesulfonic acid?
4-benzamido-2,5-dimethoxybenzenesulfonic acid has a molecular weight of 337.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-2,5-dimethoxybenzenesulfonic acid is sourced from PubChem (CID 102438408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).