5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid

C10H11N3O4S2 — CID 43474976

IUPAC5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(C(=O)O)s1
InChIInChI=1S/C10H11N3O4S2/c1-5-9(6(2)12-11-5)19(16,17)13-8-4-3-7(18-8)10(14)15/h3-4,13H,1-2H3,(H,11,12)(H,14,15)
InChIKeyVCRZZIWGNNSBJX-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.59
Rot. Bonds4

About 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid

5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid (PubChem CID 43474976) has the molecular formula C10H11N3O4S2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid
PubChem CID43474976
Molecular FormulaC10H11N3O4S2
Molecular Weight301.35 g/mol
Exact Mass301.02
IUPAC Name5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(C(=O)O)s1
InChIInChI=1S/C10H11N3O4S2/c1-5-9(6(2)12-11-5)19(16,17)13-8-4-3-7(18-8)10(14)15/h3-4,13H,1-2H3,(H,11,12)(H,14,15)
InChIKeyVCRZZIWGNNSBJX-UHFFFAOYSA-N
XLogP1.59
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]thiophene-2-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 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid (CID 43474976) is 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid is Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid?
The InChIKey is VCRZZIWGNNSBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S2/c1-5-9(6(2)12-11-5)19(16,17)13-8-4-3-7(18-8)10(14)15/h3-4,13H,1-2H3,(H,11,12)(H,14,15).
What are the key properties of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid?
5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43474976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).