2,4-dimethoxy-5-(methylsulfamoyl)benzoic acid

C10H13NO6S — CID 4565163

IUPAC2,4-dimethoxy-5-(methylsulfamoyl)benzoic acid
SMILESCNS(=O)(=O)c1cc(C(=O)O)c(OC)cc1OC
InChIInChI=1S/C10H13NO6S/c1-11-18(14,15)9-4-6(10(12)13)7(16-2)5-8(9)17-3/h4-5,11H,1-3H3,(H,12,13)
InChIKeyHLWMPCVUBZVLCT-UHFFFAOYSA-N
MW275.28 g/mol
LogP0.31
Rot. Bonds5

About 2,4-dimethoxy-5-(methylsulfamoyl)benzoic acid

2,4-dimethoxy-5-(methylsulfamoyl)benzoic acid (PubChem CID 4565163) has the molecular formula C10H13NO6S and a molecular weight of 275.28 g/mol. Its IUPAC name is 2,4-dimethoxy-5-(methylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2,4-dimethoxy-5-(methylsulfamoyl)benzoic acid
PubChem CID4565163
Molecular FormulaC10H13NO6S
Molecular Weight275.28 g/mol
Exact Mass275.05
IUPAC Name2,4-dimethoxy-5-(methylsulfamoyl)benzoic acid
SMILESCNS(=O)(=O)c1cc(C(=O)O)c(OC)cc1OC
InChIInChI=1S/C10H13NO6S/c1-11-18(14,15)9-4-6(10(12)13)7(16-2)5-8(9)17-3/h4-5,11H,1-3H3,(H,12,13)
InChIKeyHLWMPCVUBZVLCT-UHFFFAOYSA-N
XLogP0.31
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Sulisobenzone
CID 19988
Benzophenone-5
CID 23674885
Benzophenone-9
CID 154926
4-Methoxy-3-[(propan-2-yl)sulfamoyl]benzoic acid
CID 2119871
4-Methoxy-3-sulfamoylbenzoic acid
CID 2492699
3-(Dimethylsulfamoyl)-4-methoxybenzoic acid
CID 2492687
4-Methoxy-3-(methylsulfamoyl)benzoic acid
CID 2492720
3-(Tert-butylsulfamoyl)-4-methoxybenzoic acid
CID 4464061
5-{[(4-Carboxybutyl)amino]sulfonyl}-2-methoxybenzoic acid
CID 2355944
5-[(5-Carboxypentyl)sulfamoyl]-2-methoxybenzoic acid
CID 2404298
3-(Diethylsulfamoyl)-4-methoxybenzoic acid
CID 794499
4-Methoxy-3-[(2-methoxyethyl)sulfamoyl]benzoic acid
CID 2119869

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-5-(methylsulfamoyl)benzoic acid?
The IUPAC name of 2,4-dimethoxy-5-(methylsulfamoyl)benzoic acid (CID 4565163) is 2,4-dimethoxy-5-(methylsulfamoyl)benzoic acid.
What is the SMILES notation for 2,4-dimethoxy-5-(methylsulfamoyl)benzoic acid?
The canonical SMILES for 2,4-dimethoxy-5-(methylsulfamoyl)benzoic acid is CNS(=O)(=O)c1cc(C(=O)O)c(OC)cc1OC.
What is the InChIKey of 2,4-dimethoxy-5-(methylsulfamoyl)benzoic acid?
The InChIKey is HLWMPCVUBZVLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO6S/c1-11-18(14,15)9-4-6(10(12)13)7(16-2)5-8(9)17-3/h4-5,11H,1-3H3,(H,12,13).
What are the key properties of 2,4-dimethoxy-5-(methylsulfamoyl)benzoic acid?
2,4-dimethoxy-5-(methylsulfamoyl)benzoic acid has a molecular weight of 275.28 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-5-(methylsulfamoyl)benzoic acid is sourced from PubChem (CID 4565163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).