5-[cyclobutyl-(2-ethyl-5-methylpyrazol-3-yl)sulfamoyl]-2-hydroxybenzoic acid

C17H21N3O5S — CID 135352560

IUPAC5-[cyclobutyl-(2-ethyl-5-methylpyrazol-3-yl)sulfamoyl]-2-hydroxybenzoic acid
SMILESCCn1nc(C)cc1N(C1CCC1)S(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C17H21N3O5S/c1-3-19-16(9-11(2)18-19)20(12-5-4-6-12)26(24,25)13-7-8-15(21)14(10-13)17(22)23/h7-10,12,21H,3-6H2,1-2H3,(H,22,23)
InChIKeyNRJDMEBPRPIJGR-UHFFFAOYSA-N
MW379.44 g/mol
LogP2.36
Rot. Bonds6

About 5-[cyclobutyl-(2-ethyl-5-methylpyrazol-3-yl)sulfamoyl]-2-hydroxybenzoic acid

5-[cyclobutyl-(2-ethyl-5-methylpyrazol-3-yl)sulfamoyl]-2-hydroxybenzoic acid (PubChem CID 135352560) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is 5-[cyclobutyl-(2-ethyl-5-methylpyrazol-3-yl)sulfamoyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[cyclobutyl-(2-ethyl-5-methylpyrazol-3-yl)sulfamoyl]-2-hydroxybenzoic acid
PubChem CID135352560
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC Name5-[cyclobutyl-(2-ethyl-5-methylpyrazol-3-yl)sulfamoyl]-2-hydroxybenzoic acid
SMILESCCn1nc(C)cc1N(C1CCC1)S(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C17H21N3O5S/c1-3-19-16(9-11(2)18-19)20(12-5-4-6-12)26(24,25)13-7-8-15(21)14(10-13)17(22)23/h7-10,12,21H,3-6H2,1-2H3,(H,22,23)
InChIKeyNRJDMEBPRPIJGR-UHFFFAOYSA-N
XLogP2.36
TPSA112.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[cyclobutyl-(2-ethyl-5-methylpyrazol-3-yl)sulfamoyl]-2-hydroxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[cyclobutyl-(2-ethyl-5-methylpyrazol-3-yl)sulfamoyl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[cyclobutyl-(2-ethyl-5-methylpyrazol-3-yl)sulfamoyl]-2-hydroxybenzoic acid (CID 135352560) is 5-[cyclobutyl-(2-ethyl-5-methylpyrazol-3-yl)sulfamoyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[cyclobutyl-(2-ethyl-5-methylpyrazol-3-yl)sulfamoyl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[cyclobutyl-(2-ethyl-5-methylpyrazol-3-yl)sulfamoyl]-2-hydroxybenzoic acid is CCn1nc(C)cc1N(C1CCC1)S(=O)(=O)c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 5-[cyclobutyl-(2-ethyl-5-methylpyrazol-3-yl)sulfamoyl]-2-hydroxybenzoic acid?
The InChIKey is NRJDMEBPRPIJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-3-19-16(9-11(2)18-19)20(12-5-4-6-12)26(24,25)13-7-8-15(21)14(10-13)17(22)23/h7-10,12,21H,3-6H2,1-2H3,(H,22,23).
What are the key properties of 5-[cyclobutyl-(2-ethyl-5-methylpyrazol-3-yl)sulfamoyl]-2-hydroxybenzoic acid?
5-[cyclobutyl-(2-ethyl-5-methylpyrazol-3-yl)sulfamoyl]-2-hydroxybenzoic acid has a molecular weight of 379.44 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclobutyl-(2-ethyl-5-methylpyrazol-3-yl)sulfamoyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 135352560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).