N-(4-cyano-1-propan-2-ylpyrazol-3-yl)thiophene-2-sulfonamide

C11H12N4O2S2 — CID 71853050

IUPACN-(4-cyano-1-propan-2-ylpyrazol-3-yl)thiophene-2-sulfonamide
SMILESCC(C)n1cc(C#N)c(NS(=O)(=O)c2cccs2)n1
InChIInChI=1S/C11H12N4O2S2/c1-8(2)15-7-9(6-12)11(13-15)14-19(16,17)10-4-3-5-18-10/h3-5,7-8H,1-2H3,(H,13,14)
InChIKeyRRIQWHSYAVNFNB-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.20
Rot. Bonds4

About N-(4-cyano-1-propan-2-ylpyrazol-3-yl)thiophene-2-sulfonamide

N-(4-cyano-1-propan-2-ylpyrazol-3-yl)thiophene-2-sulfonamide (PubChem CID 71853050) has the molecular formula C11H12N4O2S2 and a molecular weight of 296.38 g/mol. Its IUPAC name is N-(4-cyano-1-propan-2-ylpyrazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-cyano-1-propan-2-ylpyrazol-3-yl)thiophene-2-sulfonamide
PubChem CID71853050
Molecular FormulaC11H12N4O2S2
Molecular Weight296.38 g/mol
Exact Mass296.04
IUPAC NameN-(4-cyano-1-propan-2-ylpyrazol-3-yl)thiophene-2-sulfonamide
SMILESCC(C)n1cc(C#N)c(NS(=O)(=O)c2cccs2)n1
InChIInChI=1S/C11H12N4O2S2/c1-8(2)15-7-9(6-12)11(13-15)14-19(16,17)10-4-3-5-18-10/h3-5,7-8H,1-2H3,(H,13,14)
InChIKeyRRIQWHSYAVNFNB-UHFFFAOYSA-N
XLogP2.20
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-propan-2-ylpyrazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(4-cyano-1-propan-2-ylpyrazol-3-yl)thiophene-2-sulfonamide (CID 71853050) is N-(4-cyano-1-propan-2-ylpyrazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-cyano-1-propan-2-ylpyrazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4-cyano-1-propan-2-ylpyrazol-3-yl)thiophene-2-sulfonamide is CC(C)n1cc(C#N)c(NS(=O)(=O)c2cccs2)n1.
What is the InChIKey of N-(4-cyano-1-propan-2-ylpyrazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is RRIQWHSYAVNFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S2/c1-8(2)15-7-9(6-12)11(13-15)14-19(16,17)10-4-3-5-18-10/h3-5,7-8H,1-2H3,(H,13,14).
What are the key properties of N-(4-cyano-1-propan-2-ylpyrazol-3-yl)thiophene-2-sulfonamide?
N-(4-cyano-1-propan-2-ylpyrazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 296.38 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-propan-2-ylpyrazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 71853050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).