3-(1H-pyrazol-5-ylsulfonylamino)thiophene-2-carboxylic acid

C8H7N3O4S2 — CID 102690657

IUPAC3-(1H-pyrazol-5-ylsulfonylamino)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H7N3O4S2/c12-8(13)7-5(2-4-16-7)11-17(14,15)6-1-3-9-10-6/h1-4,11H,(H,9,10)(H,12,13)
InChIKeyNGZKETAYZBHWQQ-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.97
Rot. Bonds4

About 3-(1H-pyrazol-5-ylsulfonylamino)thiophene-2-carboxylic acid

3-(1H-pyrazol-5-ylsulfonylamino)thiophene-2-carboxylic acid (PubChem CID 102690657) has the molecular formula C8H7N3O4S2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 3-(1H-pyrazol-5-ylsulfonylamino)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(1H-pyrazol-5-ylsulfonylamino)thiophene-2-carboxylic acid
PubChem CID102690657
Molecular FormulaC8H7N3O4S2
Molecular Weight273.30 g/mol
Exact Mass272.99
IUPAC Name3-(1H-pyrazol-5-ylsulfonylamino)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H7N3O4S2/c12-8(13)7-5(2-4-16-7)11-17(14,15)6-1-3-9-10-6/h1-4,11H,(H,9,10)(H,12,13)
InChIKeyNGZKETAYZBHWQQ-UHFFFAOYSA-N
XLogP0.97
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-5-ylsulfonylamino)thiophene-2-carboxylic acid?
The IUPAC name of 3-(1H-pyrazol-5-ylsulfonylamino)thiophene-2-carboxylic acid (CID 102690657) is 3-(1H-pyrazol-5-ylsulfonylamino)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(1H-pyrazol-5-ylsulfonylamino)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(1H-pyrazol-5-ylsulfonylamino)thiophene-2-carboxylic acid is O=C(O)c1sccc1NS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of 3-(1H-pyrazol-5-ylsulfonylamino)thiophene-2-carboxylic acid?
The InChIKey is NGZKETAYZBHWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O4S2/c12-8(13)7-5(2-4-16-7)11-17(14,15)6-1-3-9-10-6/h1-4,11H,(H,9,10)(H,12,13).
What are the key properties of 3-(1H-pyrazol-5-ylsulfonylamino)thiophene-2-carboxylic acid?
3-(1H-pyrazol-5-ylsulfonylamino)thiophene-2-carboxylic acid has a molecular weight of 273.30 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-5-ylsulfonylamino)thiophene-2-carboxylic acid is sourced from PubChem (CID 102690657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).