2-methoxy-5-[methyl-(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid

C13H14N2O6S — CID 67779277

IUPAC2-methoxy-5-[methyl-(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid
SMILESCOc1ccc(S(=O)(=O)N(C)c2cc(C)on2)cc1C(=O)O
InChIInChI=1S/C13H14N2O6S/c1-8-6-12(14-21-8)15(2)22(18,19)9-4-5-11(20-3)10(7-9)13(16)17/h4-7H,1-3H3,(H,16,17)
InChIKeyZCAMTEXCKKCQKC-UHFFFAOYSA-N
MW326.33 g/mol
LogP1.51
Rot. Bonds5

About 2-methoxy-5-[methyl-(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid

2-methoxy-5-[methyl-(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid (PubChem CID 67779277) has the molecular formula C13H14N2O6S and a molecular weight of 326.33 g/mol. Its IUPAC name is 2-methoxy-5-[methyl-(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-methoxy-5-[methyl-(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid
PubChem CID67779277
Molecular FormulaC13H14N2O6S
Molecular Weight326.33 g/mol
Exact Mass326.06
IUPAC Name2-methoxy-5-[methyl-(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid
SMILESCOc1ccc(S(=O)(=O)N(C)c2cc(C)on2)cc1C(=O)O
InChIInChI=1S/C13H14N2O6S/c1-8-6-12(14-21-8)15(2)22(18,19)9-4-5-11(20-3)10(7-9)13(16)17/h4-7H,1-3H3,(H,16,17)
InChIKeyZCAMTEXCKKCQKC-UHFFFAOYSA-N
XLogP1.51
TPSA109.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-cyanoethyl(methyl)sulfamoyl]-2-methoxybenzoic acid
CID 43323996
2-methoxy-5-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoic acid
CID 60951886
2-methoxy-5-[methyl(pentan-2-yl)sulfamoyl]benzoic acid
CID 43572047
5-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-2-methoxybenzoic acid
CID 43578680
4-methoxy-N-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-[5-[[(2R)-2-phenylazepan-1-yl]methyl]-1H-pyrrol-2-yl]benzenesulfonamide
CID 67762890
5-[3-(dimethylamino)propylsulfonyl]-2-methoxybenzoic acid
CID 114525746
5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-methoxybenzoic acid
CID 103101553
2-methoxy-5-[methyl(thiolan-3-yl)sulfamoyl]benzoic acid
CID 43296547
2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 7223581
2-methoxy-5-[4-(4-methylphenyl)sulfonylphenoxy]benzoic acid
CID 130396430
5-[[(1R)-1-carboxy-2-methylpropyl]sulfamoyl]-2-methoxybenzoic acid
CID 97032269
2-[5-[(3,5-dimethylphenyl)-methylsulfamoyl]-2-methoxyphenyl]acetic acid
CID 75399783

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[methyl-(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid?
The IUPAC name of 2-methoxy-5-[methyl-(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid (CID 67779277) is 2-methoxy-5-[methyl-(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-methoxy-5-[methyl-(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-methoxy-5-[methyl-(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid is COc1ccc(S(=O)(=O)N(C)c2cc(C)on2)cc1C(=O)O.
What is the InChIKey of 2-methoxy-5-[methyl-(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid?
The InChIKey is ZCAMTEXCKKCQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O6S/c1-8-6-12(14-21-8)15(2)22(18,19)9-4-5-11(20-3)10(7-9)13(16)17/h4-7H,1-3H3,(H,16,17).
What are the key properties of 2-methoxy-5-[methyl-(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid?
2-methoxy-5-[methyl-(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid has a molecular weight of 326.33 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[methyl-(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 67779277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).