5-chloro-N-[4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]thiophene-2-sulfonamide

C19H12ClN5O3S2 — CID 53125724

IUPAC5-chloro-N-[4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2nc3ccccc3n3cnnc23)cc1)c1ccc(Cl)s1
InChIInChI=1S/C19H12ClN5O3S2/c20-16-9-10-17(29-16)30(26,27)24-12-5-7-13(8-6-12)28-19-18-23-21-11-25(18)15-4-2-1-3-14(15)22-19/h1-11,24H
InChIKeyLZQHNBNOCZEMLC-UHFFFAOYSA-N
MW457.92 g/mol
LogP4.59
Rot. Bonds5

About 5-chloro-N-[4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]thiophene-2-sulfonamide

5-chloro-N-[4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]thiophene-2-sulfonamide (PubChem CID 53125724) has the molecular formula C19H12ClN5O3S2 and a molecular weight of 457.92 g/mol. Its IUPAC name is 5-chloro-N-[4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]thiophene-2-sulfonamide
PubChem CID53125724
Molecular FormulaC19H12ClN5O3S2
Molecular Weight457.92 g/mol
Exact Mass457.01
IUPAC Name5-chloro-N-[4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2nc3ccccc3n3cnnc23)cc1)c1ccc(Cl)s1
InChIInChI=1S/C19H12ClN5O3S2/c20-16-9-10-17(29-16)30(26,27)24-12-5-7-13(8-6-12)28-19-18-23-21-11-25(18)15-4-2-1-3-14(15)22-19/h1-11,24H
InChIKeyLZQHNBNOCZEMLC-UHFFFAOYSA-N
XLogP4.59
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.92
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]thiophene-2-sulfonamide (CID 53125724) is 5-chloro-N-[4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(Oc2nc3ccccc3n3cnnc23)cc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]thiophene-2-sulfonamide?
The InChIKey is LZQHNBNOCZEMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN5O3S2/c20-16-9-10-17(29-16)30(26,27)24-12-5-7-13(8-6-12)28-19-18-23-21-11-25(18)15-4-2-1-3-14(15)22-19/h1-11,24H.
What are the key properties of 5-chloro-N-[4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]thiophene-2-sulfonamide?
5-chloro-N-[4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]thiophene-2-sulfonamide has a molecular weight of 457.92 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 53125724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).