4-[[(4-fluorophenyl)-(oxolan-2-yl)methyl]sulfamoyl]-1-methylpyrazole-5-carboxylic acid

C16H18FN3O5S — CID 166396271

IUPAC4-[[(4-fluorophenyl)-(oxolan-2-yl)methyl]sulfamoyl]-1-methylpyrazole-5-carboxylic acid
SMILESCn1ncc(S(=O)(=O)NC(c2ccc(F)cc2)C2CCCO2)c1C(=O)O
InChIInChI=1S/C16H18FN3O5S/c1-20-15(16(21)22)13(9-18-20)26(23,24)19-14(12-3-2-8-25-12)10-4-6-11(17)7-5-10/h4-7,9,12,14,19H,2-3,8H2,1H3,(H,21,22)
InChIKeyLPANIYKNEWJGEF-UHFFFAOYSA-N
MW383.40 g/mol
LogP1.46
Rot. Bonds6

About 4-[[(4-fluorophenyl)-(oxolan-2-yl)methyl]sulfamoyl]-1-methylpyrazole-5-carboxylic acid

4-[[(4-fluorophenyl)-(oxolan-2-yl)methyl]sulfamoyl]-1-methylpyrazole-5-carboxylic acid (PubChem CID 166396271) has the molecular formula C16H18FN3O5S and a molecular weight of 383.40 g/mol. Its IUPAC name is 4-[[(4-fluorophenyl)-(oxolan-2-yl)methyl]sulfamoyl]-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[[(4-fluorophenyl)-(oxolan-2-yl)methyl]sulfamoyl]-1-methylpyrazole-5-carboxylic acid
PubChem CID166396271
Molecular FormulaC16H18FN3O5S
Molecular Weight383.40 g/mol
Exact Mass383.10
IUPAC Name4-[[(4-fluorophenyl)-(oxolan-2-yl)methyl]sulfamoyl]-1-methylpyrazole-5-carboxylic acid
SMILESCn1ncc(S(=O)(=O)NC(c2ccc(F)cc2)C2CCCO2)c1C(=O)O
InChIInChI=1S/C16H18FN3O5S/c1-20-15(16(21)22)13(9-18-20)26(23,24)19-14(12-3-2-8-25-12)10-4-6-11(17)7-5-10/h4-7,9,12,14,19H,2-3,8H2,1H3,(H,21,22)
InChIKeyLPANIYKNEWJGEF-UHFFFAOYSA-N
XLogP1.46
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[(4-fluorophenyl)-(oxolan-2-yl)methyl]sulfamoyl]-1-methylpyrazole-5-carboxylic 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 4-[[(4-fluorophenyl)-(oxolan-2-yl)methyl]sulfamoyl]-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 4-[[(4-fluorophenyl)-(oxolan-2-yl)methyl]sulfamoyl]-1-methylpyrazole-5-carboxylic acid (CID 166396271) is 4-[[(4-fluorophenyl)-(oxolan-2-yl)methyl]sulfamoyl]-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[[(4-fluorophenyl)-(oxolan-2-yl)methyl]sulfamoyl]-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-[[(4-fluorophenyl)-(oxolan-2-yl)methyl]sulfamoyl]-1-methylpyrazole-5-carboxylic acid is Cn1ncc(S(=O)(=O)NC(c2ccc(F)cc2)C2CCCO2)c1C(=O)O.
What is the InChIKey of 4-[[(4-fluorophenyl)-(oxolan-2-yl)methyl]sulfamoyl]-1-methylpyrazole-5-carboxylic acid?
The InChIKey is LPANIYKNEWJGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O5S/c1-20-15(16(21)22)13(9-18-20)26(23,24)19-14(12-3-2-8-25-12)10-4-6-11(17)7-5-10/h4-7,9,12,14,19H,2-3,8H2,1H3,(H,21,22).
What are the key properties of 4-[[(4-fluorophenyl)-(oxolan-2-yl)methyl]sulfamoyl]-1-methylpyrazole-5-carboxylic acid?
4-[[(4-fluorophenyl)-(oxolan-2-yl)methyl]sulfamoyl]-1-methylpyrazole-5-carboxylic acid has a molecular weight of 383.40 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-fluorophenyl)-(oxolan-2-yl)methyl]sulfamoyl]-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 166396271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).