2-hydroxy-5-(2-pyrazol-1-ylethylsulfamoyl)benzoic acid

C12H13N3O5S — CID 61463014

IUPAC2-hydroxy-5-(2-pyrazol-1-ylethylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCCn2cccn2)ccc1O
InChIInChI=1S/C12H13N3O5S/c16-11-3-2-9(8-10(11)12(17)18)21(19,20)14-5-7-15-6-1-4-13-15/h1-4,6,8,14,16H,5,7H2,(H,17,18)
InChIKeyLRNDMMOPABQIQO-UHFFFAOYSA-N
MW311.32 g/mol
LogP0.27
Rot. Bonds6

About 2-hydroxy-5-(2-pyrazol-1-ylethylsulfamoyl)benzoic acid

2-hydroxy-5-(2-pyrazol-1-ylethylsulfamoyl)benzoic acid (PubChem CID 61463014) has the molecular formula C12H13N3O5S and a molecular weight of 311.32 g/mol. Its IUPAC name is 2-hydroxy-5-(2-pyrazol-1-ylethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(2-pyrazol-1-ylethylsulfamoyl)benzoic acid
PubChem CID61463014
Molecular FormulaC12H13N3O5S
Molecular Weight311.32 g/mol
Exact Mass311.06
IUPAC Name2-hydroxy-5-(2-pyrazol-1-ylethylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCCn2cccn2)ccc1O
InChIInChI=1S/C12H13N3O5S/c16-11-3-2-9(8-10(11)12(17)18)21(19,20)14-5-7-15-6-1-4-13-15/h1-4,6,8,14,16H,5,7H2,(H,17,18)
InChIKeyLRNDMMOPABQIQO-UHFFFAOYSA-N
XLogP0.27
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-hydroxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61459596
5-(2-aminoethylsulfamoyl)-2-hydroxybenzoic acid
CID 61403327
2-hydroxy-5-(2-morpholin-4-ylethylsulfamoyl)benzoic acid
CID 8891748
1-ethyl-4-(2-pyrazol-1-ylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 61462573
3-bromo-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 54951763
3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61462673
N-(2-pyrazol-1-ylethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 61461227
2-hydroxy-5-(pent-3-ynylsulfamoyl)benzoic acid
CID 116642717
2-hydroxy-5-[2-(methylsulfamoyl)ethylsulfamoyl]benzoic acid
CID 106335055
2-hydroxy-5-(3-methylsulfonylpropylsulfamoyl)benzoic acid
CID 61019383
5-(2-pyrazol-1-ylethylsulfamoyl)thiophene-2-carboxylic acid
CID 61462775
4-bromo-3-(2-pyrazol-1-ylethylsulfamoyl)benzoic acid
CID 61463139

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(2-pyrazol-1-ylethylsulfamoyl)benzoic acid?
The IUPAC name of 2-hydroxy-5-(2-pyrazol-1-ylethylsulfamoyl)benzoic acid (CID 61463014) is 2-hydroxy-5-(2-pyrazol-1-ylethylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-5-(2-pyrazol-1-ylethylsulfamoyl)benzoic acid?
The canonical SMILES for 2-hydroxy-5-(2-pyrazol-1-ylethylsulfamoyl)benzoic acid is O=C(O)c1cc(S(=O)(=O)NCCn2cccn2)ccc1O.
What is the InChIKey of 2-hydroxy-5-(2-pyrazol-1-ylethylsulfamoyl)benzoic acid?
The InChIKey is LRNDMMOPABQIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O5S/c16-11-3-2-9(8-10(11)12(17)18)21(19,20)14-5-7-15-6-1-4-13-15/h1-4,6,8,14,16H,5,7H2,(H,17,18).
What are the key properties of 2-hydroxy-5-(2-pyrazol-1-ylethylsulfamoyl)benzoic acid?
2-hydroxy-5-(2-pyrazol-1-ylethylsulfamoyl)benzoic acid has a molecular weight of 311.32 g/mol, XLogP of 0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(2-pyrazol-1-ylethylsulfamoyl)benzoic acid is sourced from PubChem (CID 61463014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).