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

C10H11N3O4S2 — CID 43547659

IUPAC3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1n[nH]c(C)c1NS(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C10H11N3O4S2/c1-5-8(6(2)12-11-5)13-19(16,17)7-3-4-18-9(7)10(14)15/h3-4,13H,1-2H3,(H,11,12)(H,14,15)
InChIKeyLRLHEKHUOQRTDA-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.59
Rot. Bonds4

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

3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 43547659) has the molecular formula C10H11N3O4S2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID43547659
Molecular FormulaC10H11N3O4S2
Molecular Weight301.35 g/mol
Exact Mass301.02
IUPAC Name3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1n[nH]c(C)c1NS(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C10H11N3O4S2/c1-5-8(6(2)12-11-5)13-19(16,17)7-3-4-18-9(7)10(14)15/h3-4,13H,1-2H3,(H,11,12)(H,14,15)
InChIKeyLRLHEKHUOQRTDA-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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carboxylic acid (CID 43547659) is 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carboxylic acid is Cc1n[nH]c(C)c1NS(=O)(=O)c1ccsc1C(=O)O.
What is the InChIKey of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is LRLHEKHUOQRTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S2/c1-5-8(6(2)12-11-5)13-19(16,17)7-3-4-18-9(7)10(14)15/h3-4,13H,1-2H3,(H,11,12)(H,14,15).
What are the key properties of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carboxylic acid?
3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]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 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 43547659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).