N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)thiophene-2-sulfonamide

C13H9N5O2S2 — CID 108782377

IUPACN-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)thiophene-2-sulfonamide
SMILESN#Cc1cnn(-c2ccccn2)c1NS(=O)(=O)c1cccs1
InChIInChI=1S/C13H9N5O2S2/c14-8-10-9-16-18(11-4-1-2-6-15-11)13(10)17-22(19,20)12-5-3-7-21-12/h1-7,9,17H
InChIKeyFKNAWQDQMNBBRN-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.00
Rot. Bonds4

About N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)thiophene-2-sulfonamide

N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)thiophene-2-sulfonamide (PubChem CID 108782377) has the molecular formula C13H9N5O2S2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)thiophene-2-sulfonamide
PubChem CID108782377
Molecular FormulaC13H9N5O2S2
Molecular Weight331.38 g/mol
Exact Mass331.02
IUPAC NameN-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)thiophene-2-sulfonamide
SMILESN#Cc1cnn(-c2ccccn2)c1NS(=O)(=O)c1cccs1
InChIInChI=1S/C13H9N5O2S2/c14-8-10-9-16-18(11-4-1-2-6-15-11)13(10)17-22(19,20)12-5-3-7-21-12/h1-7,9,17H
InChIKeyFKNAWQDQMNBBRN-UHFFFAOYSA-N
XLogP2.00
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)thiophene-2-sulfonamide (CID 108782377) is N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)thiophene-2-sulfonamide is N#Cc1cnn(-c2ccccn2)c1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is FKNAWQDQMNBBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O2S2/c14-8-10-9-16-18(11-4-1-2-6-15-11)13(10)17-22(19,20)12-5-3-7-21-12/h1-7,9,17H.
What are the key properties of N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)thiophene-2-sulfonamide?
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 331.38 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 108782377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).