5-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide

C11H12N4O2S2 — CID 106272623

IUPAC5-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILESCC(C)c1cc(NS(=O)(=O)c2ccc(C#N)s2)n[nH]1
InChIInChI=1S/C11H12N4O2S2/c1-7(2)9-5-10(14-13-9)15-19(16,17)11-4-3-8(6-12)18-11/h3-5,7H,1-2H3,(H2,13,14,15)
InChIKeyOVXMLVYCUDENJG-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.27
Rot. Bonds4

About 5-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide

5-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide (PubChem CID 106272623) has the molecular formula C11H12N4O2S2 and a molecular weight of 296.38 g/mol. Its IUPAC name is 5-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
PubChem CID106272623
Molecular FormulaC11H12N4O2S2
Molecular Weight296.38 g/mol
Exact Mass296.04
IUPAC Name5-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILESCC(C)c1cc(NS(=O)(=O)c2ccc(C#N)s2)n[nH]1
InChIInChI=1S/C11H12N4O2S2/c1-7(2)9-5-10(14-13-9)15-19(16,17)11-4-3-8(6-12)18-11/h3-5,7H,1-2H3,(H2,13,14,15)
InChIKeyOVXMLVYCUDENJG-UHFFFAOYSA-N
XLogP2.27
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide (CID 106272623) is 5-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide is CC(C)c1cc(NS(=O)(=O)c2ccc(C#N)s2)n[nH]1.
What is the InChIKey of 5-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is OVXMLVYCUDENJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S2/c1-7(2)9-5-10(14-13-9)15-19(16,17)11-4-3-8(6-12)18-11/h3-5,7H,1-2H3,(H2,13,14,15).
What are the key properties of 5-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
5-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 296.38 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106272623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).