5-chloro-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]thiophene-2-sulfonamide

C15H10ClN5O2S2 — CID 7524121

IUPAC5-chloro-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(-c2ccc3nncn3n2)cc1)c1ccc(Cl)s1
InChIInChI=1S/C15H10ClN5O2S2/c16-13-6-8-15(24-13)25(22,23)20-11-3-1-10(2-4-11)12-5-7-14-18-17-9-21(14)19-12/h1-9,20H
InChIKeyWEKYNUPSIXSGAS-UHFFFAOYSA-N
MW391.87 g/mol
LogP3.31
Rot. Bonds4

About 5-chloro-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]thiophene-2-sulfonamide

5-chloro-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]thiophene-2-sulfonamide (PubChem CID 7524121) has the molecular formula C15H10ClN5O2S2 and a molecular weight of 391.87 g/mol. Its IUPAC name is 5-chloro-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]thiophene-2-sulfonamide
PubChem CID7524121
Molecular FormulaC15H10ClN5O2S2
Molecular Weight391.87 g/mol
Exact Mass391.00
IUPAC Name5-chloro-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(-c2ccc3nncn3n2)cc1)c1ccc(Cl)s1
InChIInChI=1S/C15H10ClN5O2S2/c16-13-6-8-15(24-13)25(22,23)20-11-3-1-10(2-4-11)12-5-7-14-18-17-9-21(14)19-12/h1-9,20H
InChIKeyWEKYNUPSIXSGAS-UHFFFAOYSA-N
XLogP3.31
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.87
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]thiophene-2-sulfonamide (CID 7524121) is 5-chloro-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(-c2ccc3nncn3n2)cc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]thiophene-2-sulfonamide?
The InChIKey is WEKYNUPSIXSGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN5O2S2/c16-13-6-8-15(24-13)25(22,23)20-11-3-1-10(2-4-11)12-5-7-14-18-17-9-21(14)19-12/h1-9,20H.
What are the key properties of 5-chloro-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]thiophene-2-sulfonamide?
5-chloro-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]thiophene-2-sulfonamide has a molecular weight of 391.87 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 7524121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).