2-[2-(1H-imidazol-2-ylsulfamoyl)-5-methoxyphenyl]acetic acid

C12H13N3O5S — CID 63563903

IUPAC2-[2-(1H-imidazol-2-ylsulfamoyl)-5-methoxyphenyl]acetic acid
SMILESCOc1ccc(S(=O)(=O)Nc2ncc[nH]2)c(CC(=O)O)c1
InChIInChI=1S/C12H13N3O5S/c1-20-9-2-3-10(8(6-9)7-11(16)17)21(18,19)15-12-13-4-5-14-12/h2-6H,7H2,1H3,(H,16,17)(H2,13,14,15)
InChIKeyMRXYTAIHNRMWDT-UHFFFAOYSA-N
MW311.32 g/mol
LogP0.85
Rot. Bonds6

About 2-[2-(1H-imidazol-2-ylsulfamoyl)-5-methoxyphenyl]acetic acid

2-[2-(1H-imidazol-2-ylsulfamoyl)-5-methoxyphenyl]acetic acid (PubChem CID 63563903) has the molecular formula C12H13N3O5S and a molecular weight of 311.32 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-2-ylsulfamoyl)-5-methoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(1H-imidazol-2-ylsulfamoyl)-5-methoxyphenyl]acetic acid
PubChem CID63563903
Molecular FormulaC12H13N3O5S
Molecular Weight311.32 g/mol
Exact Mass311.06
IUPAC Name2-[2-(1H-imidazol-2-ylsulfamoyl)-5-methoxyphenyl]acetic acid
SMILESCOc1ccc(S(=O)(=O)Nc2ncc[nH]2)c(CC(=O)O)c1
InChIInChI=1S/C12H13N3O5S/c1-20-9-2-3-10(8(6-9)7-11(16)17)21(18,19)15-12-13-4-5-14-12/h2-6H,7H2,1H3,(H,16,17)(H2,13,14,15)
InChIKeyMRXYTAIHNRMWDT-UHFFFAOYSA-N
XLogP0.85
TPSA121.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1H-imidazol-2-ylsulfamoyl)-2-methoxybenzoic acid
CID 63565237
N-(1H-imidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 63564852
2-[5-methoxy-2-(pyrrol-1-ylsulfamoyl)phenyl]acetic acid
CID 79084888
2-[2-(dimethylsulfamoyl)-5-methoxyphenyl]acetic acid
CID 16775359
2-[2-(2-cyanopropylsulfamoyl)-5-methoxyphenyl]acetic acid
CID 62666374
2-[5-methoxy-2-[methyl(propyl)sulfamoyl]phenyl]acetic acid
CID 43659129
2-[2-[ethyl(propyl)sulfamoyl]-5-methoxyphenyl]acetic acid
CID 43659128
2-[5-methoxy-2-(thiolan-3-ylsulfamoyl)phenyl]acetic acid
CID 103062531
methyl 2-[2-(2,2-dimethylpropanoylsulfamoyl)-5-methoxyphenyl]acetate
CID 154760397
5-bromo-2-fluoro-3-(1H-imidazol-2-ylsulfamoyl)benzoic acid
CID 63565423
2-[4-(1H-imidazol-2-ylsulfamoyl)phenyl]ethanethioamide
CID 79195804
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-2-ylsulfamoyl)-5-methoxyphenyl]acetic acid?
The IUPAC name of 2-[2-(1H-imidazol-2-ylsulfamoyl)-5-methoxyphenyl]acetic acid (CID 63563903) is 2-[2-(1H-imidazol-2-ylsulfamoyl)-5-methoxyphenyl]acetic acid.
What is the SMILES notation for 2-[2-(1H-imidazol-2-ylsulfamoyl)-5-methoxyphenyl]acetic acid?
The canonical SMILES for 2-[2-(1H-imidazol-2-ylsulfamoyl)-5-methoxyphenyl]acetic acid is COc1ccc(S(=O)(=O)Nc2ncc[nH]2)c(CC(=O)O)c1.
What is the InChIKey of 2-[2-(1H-imidazol-2-ylsulfamoyl)-5-methoxyphenyl]acetic acid?
The InChIKey is MRXYTAIHNRMWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O5S/c1-20-9-2-3-10(8(6-9)7-11(16)17)21(18,19)15-12-13-4-5-14-12/h2-6H,7H2,1H3,(H,16,17)(H2,13,14,15).
What are the key properties of 2-[2-(1H-imidazol-2-ylsulfamoyl)-5-methoxyphenyl]acetic acid?
2-[2-(1H-imidazol-2-ylsulfamoyl)-5-methoxyphenyl]acetic acid has a molecular weight of 311.32 g/mol, XLogP of 0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-2-ylsulfamoyl)-5-methoxyphenyl]acetic acid is sourced from PubChem (CID 63563903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).