2-methoxy-3-methyl-5-sulfamoylbenzoic acid

C9H11NO5S — CID 70037529

IUPAC2-methoxy-3-methyl-5-sulfamoylbenzoic acid
SMILESCOc1c(C)cc(S(N)(=O)=O)cc1C(=O)O
InChIInChI=1S/C9H11NO5S/c1-5-3-6(16(10,13)14)4-7(9(11)12)8(5)15-2/h3-4H,1-2H3,(H,11,12)(H2,10,13,14)
InChIKeyIAZKVQCYNKCJCD-UHFFFAOYSA-N
MW245.26 g/mol
LogP0.35
Rot. Bonds3

About 2-methoxy-3-methyl-5-sulfamoylbenzoic acid

2-methoxy-3-methyl-5-sulfamoylbenzoic acid (PubChem CID 70037529) has the molecular formula C9H11NO5S and a molecular weight of 245.26 g/mol. Its IUPAC name is 2-methoxy-3-methyl-5-sulfamoylbenzoic acid.

Molecular Properties

Compound Name2-methoxy-3-methyl-5-sulfamoylbenzoic acid
PubChem CID70037529
Molecular FormulaC9H11NO5S
Molecular Weight245.26 g/mol
Exact Mass245.04
IUPAC Name2-methoxy-3-methyl-5-sulfamoylbenzoic acid
SMILESCOc1c(C)cc(S(N)(=O)=O)cc1C(=O)O
InChIInChI=1S/C9H11NO5S/c1-5-3-6(16(10,13)14)4-7(9(11)12)8(5)15-2/h3-4H,1-2H3,(H,11,12)(H2,10,13,14)
InChIKeyIAZKVQCYNKCJCD-UHFFFAOYSA-N
XLogP0.35
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3,5-dimethylbenzenesulfonic acid
CID 13356603
5-cyano-2-methoxy-3-methylbenzoic acid
CID 131074131
2,3-dimethyl-5-sulfamoylbenzamide
CID 65373668
2-methoxy-5-methylbenzene-1,3-dicarboxylic acid
CID 59710724
2-(2,6-dimethyl-4-sulfamoylphenoxy)acetamide
CID 82911999
2,3-dimethoxy-5-methylsulfonylbenzoic acid
CID 13053688
3-amino-5-ethylsulfonyl-2-methoxybenzoic acid
CID 141307254
ethyl 2,3-dimethyl-5-sulfamoylbenzoate
CID 63840159
3-amino-2-hydroxy-4-methoxy-5-methylbenzoic acid
CID 84667419
3-(2,6-dimethyl-4-sulfamoylphenoxy)propanamide
CID 82913119
N,N,2,3-tetramethyl-5-sulfamoylbenzamide
CID 65373871
CID 175079027
CID 175079027

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methyl-5-sulfamoylbenzoic acid?
The IUPAC name of 2-methoxy-3-methyl-5-sulfamoylbenzoic acid (CID 70037529) is 2-methoxy-3-methyl-5-sulfamoylbenzoic acid.
What is the SMILES notation for 2-methoxy-3-methyl-5-sulfamoylbenzoic acid?
The canonical SMILES for 2-methoxy-3-methyl-5-sulfamoylbenzoic acid is COc1c(C)cc(S(N)(=O)=O)cc1C(=O)O.
What is the InChIKey of 2-methoxy-3-methyl-5-sulfamoylbenzoic acid?
The InChIKey is IAZKVQCYNKCJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5S/c1-5-3-6(16(10,13)14)4-7(9(11)12)8(5)15-2/h3-4H,1-2H3,(H,11,12)(H2,10,13,14).
What are the key properties of 2-methoxy-3-methyl-5-sulfamoylbenzoic acid?
2-methoxy-3-methyl-5-sulfamoylbenzoic acid has a molecular weight of 245.26 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methyl-5-sulfamoylbenzoic acid is sourced from PubChem (CID 70037529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).