2-[4-[[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]sulfamoyl]pyrazol-1-yl]acetic acid

C16H19N3O6S — CID 138001311

IUPAC2-[4-[[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCC(C)(CNS(=O)(=O)c1cnn(CC(=O)O)c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H19N3O6S/c1-16(2,11-3-4-13-14(5-11)25-10-24-13)9-18-26(22,23)12-6-17-19(7-12)8-15(20)21/h3-7,18H,8-10H2,1-2H3,(H,20,21)
InChIKeyUWVAEJBJKXKMBP-UHFFFAOYSA-N
MW381.41 g/mol
LogP0.95
Rot. Bonds7

About 2-[4-[[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]sulfamoyl]pyrazol-1-yl]acetic acid

2-[4-[[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]sulfamoyl]pyrazol-1-yl]acetic acid (PubChem CID 138001311) has the molecular formula C16H19N3O6S and a molecular weight of 381.41 g/mol. Its IUPAC name is 2-[4-[[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]sulfamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]sulfamoyl]pyrazol-1-yl]acetic acid
PubChem CID138001311
Molecular FormulaC16H19N3O6S
Molecular Weight381.41 g/mol
Exact Mass381.10
IUPAC Name2-[4-[[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCC(C)(CNS(=O)(=O)c1cnn(CC(=O)O)c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H19N3O6S/c1-16(2,11-3-4-13-14(5-11)25-10-24-13)9-18-26(22,23)12-6-17-19(7-12)8-15(20)21/h3-7,18H,8-10H2,1-2H3,(H,20,21)
InChIKeyUWVAEJBJKXKMBP-UHFFFAOYSA-N
XLogP0.95
TPSA119.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]sulfamoyl]pyrazol-1-yl]acetic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-(2,2-dimethylpropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 61166844
4-[[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 51128729
N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]methanesulfonamide
CID 86870477
N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 86870479
N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-2-(methylamino)acetamide
CID 115152169
4-[[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]carbamoyl]benzoic acid
CID 119183117
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-4-methylbenzenesulfonamide
CID 90497776
2-[4-(2-hydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511215
N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-3-phenylimidazole-4-carboxamide
CID 71685686
2-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43535059
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-1-methylpyrazole-4-carboxamide
CID 136579753
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3,4-dimethylbenzenesulfonamide
CID 90497781

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]sulfamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]sulfamoyl]pyrazol-1-yl]acetic acid (CID 138001311) is 2-[4-[[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]sulfamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]sulfamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]sulfamoyl]pyrazol-1-yl]acetic acid is CC(C)(CNS(=O)(=O)c1cnn(CC(=O)O)c1)c1ccc2c(c1)OCO2.
What is the InChIKey of 2-[4-[[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]sulfamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is UWVAEJBJKXKMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O6S/c1-16(2,11-3-4-13-14(5-11)25-10-24-13)9-18-26(22,23)12-6-17-19(7-12)8-15(20)21/h3-7,18H,8-10H2,1-2H3,(H,20,21).
What are the key properties of 2-[4-[[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]sulfamoyl]pyrazol-1-yl]acetic acid?
2-[4-[[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]sulfamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 381.41 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]sulfamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 138001311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).