2-methoxy-5-(pyrimidin-2-ylsulfamoyl)benzoic acid

C12H11N3O5S — CID 43323984

IUPAC2-methoxy-5-(pyrimidin-2-ylsulfamoyl)benzoic acid
SMILESCOc1ccc(S(=O)(=O)Nc2ncccn2)cc1C(=O)O
InChIInChI=1S/C12H11N3O5S/c1-20-10-4-3-8(7-9(10)11(16)17)21(18,19)15-12-13-5-2-6-14-12/h2-7H,1H3,(H,16,17)(H,13,14,15)
InChIKeyUEXQMKKVTUBELO-UHFFFAOYSA-N
MW309.30 g/mol
LogP0.98
Rot. Bonds5

About 2-methoxy-5-(pyrimidin-2-ylsulfamoyl)benzoic acid

2-methoxy-5-(pyrimidin-2-ylsulfamoyl)benzoic acid (PubChem CID 43323984) has the molecular formula C12H11N3O5S and a molecular weight of 309.30 g/mol. Its IUPAC name is 2-methoxy-5-(pyrimidin-2-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-methoxy-5-(pyrimidin-2-ylsulfamoyl)benzoic acid
PubChem CID43323984
Molecular FormulaC12H11N3O5S
Molecular Weight309.30 g/mol
Exact Mass309.04
IUPAC Name2-methoxy-5-(pyrimidin-2-ylsulfamoyl)benzoic acid
SMILESCOc1ccc(S(=O)(=O)Nc2ncccn2)cc1C(=O)O
InChIInChI=1S/C12H11N3O5S/c1-20-10-4-3-8(7-9(10)11(16)17)21(18,19)15-12-13-5-2-6-14-12/h2-7H,1H3,(H,16,17)(H,13,14,15)
InChIKeyUEXQMKKVTUBELO-UHFFFAOYSA-N
XLogP0.98
TPSA118.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-5-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid
CID 114387105
5-(1H-imidazol-2-ylsulfamoyl)-2-methoxybenzoic acid
CID 63565237
3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756685
2-iodo-5-(pyrimidin-2-ylsulfamoyl)benzoic acid
CID 103962224
2-methoxy-5-(1H-pyrazol-5-ylsulfamoyl)benzoic acid
CID 61394386
5-[(2-fluorophenyl)sulfamoyl]-2-methoxybenzoic acid
CID 56812258
5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-2-methoxybenzoic acid
CID 60784641
2-methoxy-5-(prop-2-ynylsulfamoyl)benzoic acid
CID 43323987
5-[(3-chloro-2-methoxyphenyl)sulfamoyl]-2-methoxybenzoic acid
CID 56798970
3,4-dimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 1084470
2-methoxy-5-(piperidin-1-ylsulfamoyl)benzoic acid
CID 83005779
5-[(2,5-difluorophenyl)sulfamoyl]-2-methoxybenzoic acid
CID 56812265

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(pyrimidin-2-ylsulfamoyl)benzoic acid?
The IUPAC name of 2-methoxy-5-(pyrimidin-2-ylsulfamoyl)benzoic acid (CID 43323984) is 2-methoxy-5-(pyrimidin-2-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-methoxy-5-(pyrimidin-2-ylsulfamoyl)benzoic acid?
The canonical SMILES for 2-methoxy-5-(pyrimidin-2-ylsulfamoyl)benzoic acid is COc1ccc(S(=O)(=O)Nc2ncccn2)cc1C(=O)O.
What is the InChIKey of 2-methoxy-5-(pyrimidin-2-ylsulfamoyl)benzoic acid?
The InChIKey is UEXQMKKVTUBELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O5S/c1-20-10-4-3-8(7-9(10)11(16)17)21(18,19)15-12-13-5-2-6-14-12/h2-7H,1H3,(H,16,17)(H,13,14,15).
What are the key properties of 2-methoxy-5-(pyrimidin-2-ylsulfamoyl)benzoic acid?
2-methoxy-5-(pyrimidin-2-ylsulfamoyl)benzoic acid has a molecular weight of 309.30 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(pyrimidin-2-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 43323984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).