5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-sulfonamide

C12H10ClN3O2S2 — CID 90538595

IUPAC5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1cnn2ccccc12)c1ccc(Cl)s1
InChIInChI=1S/C12H10ClN3O2S2/c13-11-4-5-12(19-11)20(17,18)15-8-9-7-14-16-6-2-1-3-10(9)16/h1-7,15H,8H2
InChIKeyNKNPDLXQUWMNJW-UHFFFAOYSA-N
MW327.82 g/mol
LogP2.53
Rot. Bonds4

About 5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-sulfonamide

5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-sulfonamide (PubChem CID 90538595) has the molecular formula C12H10ClN3O2S2 and a molecular weight of 327.82 g/mol. Its IUPAC name is 5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-sulfonamide
PubChem CID90538595
Molecular FormulaC12H10ClN3O2S2
Molecular Weight327.82 g/mol
Exact Mass326.99
IUPAC Name5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1cnn2ccccc12)c1ccc(Cl)s1
InChIInChI=1S/C12H10ClN3O2S2/c13-11-4-5-12(19-11)20(17,18)15-8-9-7-14-16-6-2-1-3-10(9)16/h1-7,15H,8H2
InChIKeyNKNPDLXQUWMNJW-UHFFFAOYSA-N
XLogP2.53
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-sulfonamide (CID 90538595) is 5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-sulfonamide is O=S(=O)(NCc1cnn2ccccc12)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is NKNPDLXQUWMNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2S2/c13-11-4-5-12(19-11)20(17,18)15-8-9-7-14-16-6-2-1-3-10(9)16/h1-7,15H,8H2.
What are the key properties of 5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-sulfonamide?
5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 327.82 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 90538595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).