7-chloro-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2H-[1,2,5]oxadiazolo[2,3-a]pyridine-4-sulfonamide

C15H15ClN4O3S — CID 67984526

IUPAC7-chloro-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2H-[1,2,5]oxadiazolo[2,3-a]pyridine-4-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)CCNC2)C1=CC=C(Cl)N2ONC=C12
InChIInChI=1S/C15H15ClN4O3S/c16-15-4-3-14(13-9-18-23-20(13)15)24(21,22)19-12-2-1-11-8-17-6-5-10(11)7-12/h1-4,7,9,17-19H,5-6,8H2
InChIKeyOVNOZPNUXGCJOL-UHFFFAOYSA-N
MW366.83 g/mol
LogP1.64
Rot. Bonds3

About 7-chloro-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2H-[1,2,5]oxadiazolo[2,3-a]pyridine-4-sulfonamide

7-chloro-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2H-[1,2,5]oxadiazolo[2,3-a]pyridine-4-sulfonamide (PubChem CID 67984526) has the molecular formula C15H15ClN4O3S and a molecular weight of 366.83 g/mol. Its IUPAC name is 7-chloro-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2H-[1,2,5]oxadiazolo[2,3-a]pyridine-4-sulfonamide.

Molecular Properties

Compound Name7-chloro-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2H-[1,2,5]oxadiazolo[2,3-a]pyridine-4-sulfonamide
PubChem CID67984526
Molecular FormulaC15H15ClN4O3S
Molecular Weight366.83 g/mol
Exact Mass366.06
IUPAC Name7-chloro-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2H-[1,2,5]oxadiazolo[2,3-a]pyridine-4-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)CCNC2)C1=CC=C(Cl)N2ONC=C12
InChIInChI=1S/C15H15ClN4O3S/c16-15-4-3-14(13-9-18-23-20(13)15)24(21,22)19-12-2-1-11-8-17-6-5-10(11)7-12/h1-4,7,9,17-19H,5-6,8H2
InChIKeyOVNOZPNUXGCJOL-UHFFFAOYSA-N
XLogP1.64
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2H-[1,2,5]oxadiazolo[2,3-a]pyridine-4-sulfonamide?
The IUPAC name of 7-chloro-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2H-[1,2,5]oxadiazolo[2,3-a]pyridine-4-sulfonamide (CID 67984526) is 7-chloro-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2H-[1,2,5]oxadiazolo[2,3-a]pyridine-4-sulfonamide.
What is the SMILES notation for 7-chloro-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2H-[1,2,5]oxadiazolo[2,3-a]pyridine-4-sulfonamide?
The canonical SMILES for 7-chloro-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2H-[1,2,5]oxadiazolo[2,3-a]pyridine-4-sulfonamide is O=S(=O)(Nc1ccc2c(c1)CCNC2)C1=CC=C(Cl)N2ONC=C12.
What is the InChIKey of 7-chloro-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2H-[1,2,5]oxadiazolo[2,3-a]pyridine-4-sulfonamide?
The InChIKey is OVNOZPNUXGCJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O3S/c16-15-4-3-14(13-9-18-23-20(13)15)24(21,22)19-12-2-1-11-8-17-6-5-10(11)7-12/h1-4,7,9,17-19H,5-6,8H2.
What are the key properties of 7-chloro-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2H-[1,2,5]oxadiazolo[2,3-a]pyridine-4-sulfonamide?
7-chloro-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2H-[1,2,5]oxadiazolo[2,3-a]pyridine-4-sulfonamide has a molecular weight of 366.83 g/mol, XLogP of 1.64, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2H-[1,2,5]oxadiazolo[2,3-a]pyridine-4-sulfonamide is sourced from PubChem (CID 67984526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).