2,4-dimethoxy-5-(propan-2-ylsulfamoyl)benzoic acid

C12H17NO6S — CID 2203685

IUPAC2,4-dimethoxy-5-(propan-2-ylsulfamoyl)benzoic acid
SMILESCOc1cc(OC)c(S(=O)(=O)NC(C)C)cc1C(=O)O
InChIInChI=1S/C12H17NO6S/c1-7(2)13-20(16,17)11-5-8(12(14)15)9(18-3)6-10(11)19-4/h5-7,13H,1-4H3,(H,14,15)
InChIKeyMOYZZBWOKXHVPZ-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.09
Rot. Bonds6

About 2,4-dimethoxy-5-(propan-2-ylsulfamoyl)benzoic acid

2,4-dimethoxy-5-(propan-2-ylsulfamoyl)benzoic acid (PubChem CID 2203685) has the molecular formula C12H17NO6S and a molecular weight of 303.34 g/mol. Its IUPAC name is 2,4-dimethoxy-5-(propan-2-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2,4-dimethoxy-5-(propan-2-ylsulfamoyl)benzoic acid
PubChem CID2203685
Molecular FormulaC12H17NO6S
Molecular Weight303.34 g/mol
Exact Mass303.08
IUPAC Name2,4-dimethoxy-5-(propan-2-ylsulfamoyl)benzoic acid
SMILESCOc1cc(OC)c(S(=O)(=O)NC(C)C)cc1C(=O)O
InChIInChI=1S/C12H17NO6S/c1-7(2)13-20(16,17)11-5-8(12(14)15)9(18-3)6-10(11)19-4/h5-7,13H,1-4H3,(H,14,15)
InChIKeyMOYZZBWOKXHVPZ-UHFFFAOYSA-N
XLogP1.09
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methoxy-3-[(propan-2-yl)sulfamoyl]benzoic acid
CID 2119871
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-Carboxy-pentylsulfamoyl)-2-methoxy-benzoic acid
CID 2404298
3-(Diethylsulfamoyl)-4-methoxybenzoic acid
CID 794499
4-Methoxy-3-[(2-methoxyethyl)sulfamoyl]benzoic acid
CID 2119869
3-{[2-(Dimethylamino)ethyl]sulfamoyl}-4-methoxybenzoic acid
CID 2392364
2,4-Dimethoxy-5-[(methylamino)sulfonyl]benzoic acid
CID 4565163
3-[(Carboxymethyl)sulfamoyl]-4-methoxybenzoic acid
CID 2462933
3-(Cyclopentylsulfamoyl)-4-methoxybenzoic acid
CID 2466556
3-(Ethylsulfamoyl)-4-methoxybenzoic acid
CID 16768179

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-5-(propan-2-ylsulfamoyl)benzoic acid?
The IUPAC name of 2,4-dimethoxy-5-(propan-2-ylsulfamoyl)benzoic acid (CID 2203685) is 2,4-dimethoxy-5-(propan-2-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 2,4-dimethoxy-5-(propan-2-ylsulfamoyl)benzoic acid?
The canonical SMILES for 2,4-dimethoxy-5-(propan-2-ylsulfamoyl)benzoic acid is COc1cc(OC)c(S(=O)(=O)NC(C)C)cc1C(=O)O.
What is the InChIKey of 2,4-dimethoxy-5-(propan-2-ylsulfamoyl)benzoic acid?
The InChIKey is MOYZZBWOKXHVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO6S/c1-7(2)13-20(16,17)11-5-8(12(14)15)9(18-3)6-10(11)19-4/h5-7,13H,1-4H3,(H,14,15).
What are the key properties of 2,4-dimethoxy-5-(propan-2-ylsulfamoyl)benzoic acid?
2,4-dimethoxy-5-(propan-2-ylsulfamoyl)benzoic acid has a molecular weight of 303.34 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-5-(propan-2-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 2203685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).