N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-[1,2]oxazolo[4,5-c]pyridine-4-sulfonamide

C15H14N4O3S — CID 91290520

IUPACN-(1,2,3,4-tetrahydroisoquinolin-6-yl)-[1,2]oxazolo[4,5-c]pyridine-4-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)CCNC2)c1nccc2oncc12
InChIInChI=1S/C15H14N4O3S/c20-23(21,15-13-9-18-22-14(13)4-6-17-15)19-12-2-1-11-8-16-5-3-10(11)7-12/h1-2,4,6-7,9,16,19H,3,5,8H2
InChIKeyMFBKFOUHGGEFQS-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.67
Rot. Bonds3

About N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-[1,2]oxazolo[4,5-c]pyridine-4-sulfonamide

N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-[1,2]oxazolo[4,5-c]pyridine-4-sulfonamide (PubChem CID 91290520) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-[1,2]oxazolo[4,5-c]pyridine-4-sulfonamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroisoquinolin-6-yl)-[1,2]oxazolo[4,5-c]pyridine-4-sulfonamide
PubChem CID91290520
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC NameN-(1,2,3,4-tetrahydroisoquinolin-6-yl)-[1,2]oxazolo[4,5-c]pyridine-4-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)CCNC2)c1nccc2oncc12
InChIInChI=1S/C15H14N4O3S/c20-23(21,15-13-9-18-22-14(13)4-6-17-15)19-12-2-1-11-8-16-5-3-10(11)7-12/h1-2,4,6-7,9,16,19H,3,5,8H2
InChIKeyMFBKFOUHGGEFQS-UHFFFAOYSA-N
XLogP1.67
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-[1,2]oxazolo[4,5-c]pyridine-4-sulfonamide with MolForge

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Related Compounds

N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-5-sulfonamide
CID 140564681
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzenesulfonamide
CID 21222073
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-thiazole-5-sulfonamide
CID 103415147
N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1-benzothiophene-3-sulfonamide;hydrochloride
CID 67984145
4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
CID 20547448
3,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyrazole-4-sulfonamide
CID 63901960
7-chloro-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2H-[1,2,5]oxadiazolo[2,3-a]pyridine-4-sulfonamide
CID 67984526
4-methyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3H-1,3-thiazole-5-sulfonamide
CID 63901970
5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2-oxazole-4-carboxamide
CID 63901115
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propane-2-sulfonamide
CID 63902148
N-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606927
4-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
CID 11163741

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-[1,2]oxazolo[4,5-c]pyridine-4-sulfonamide?
The IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-[1,2]oxazolo[4,5-c]pyridine-4-sulfonamide (CID 91290520) is N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-[1,2]oxazolo[4,5-c]pyridine-4-sulfonamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-[1,2]oxazolo[4,5-c]pyridine-4-sulfonamide?
The canonical SMILES for N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-[1,2]oxazolo[4,5-c]pyridine-4-sulfonamide is O=S(=O)(Nc1ccc2c(c1)CCNC2)c1nccc2oncc12.
What is the InChIKey of N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-[1,2]oxazolo[4,5-c]pyridine-4-sulfonamide?
The InChIKey is MFBKFOUHGGEFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c20-23(21,15-13-9-18-22-14(13)4-6-17-15)19-12-2-1-11-8-16-5-3-10(11)7-12/h1-2,4,6-7,9,16,19H,3,5,8H2.
What are the key properties of N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-[1,2]oxazolo[4,5-c]pyridine-4-sulfonamide?
N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-[1,2]oxazolo[4,5-c]pyridine-4-sulfonamide has a molecular weight of 330.37 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-[1,2]oxazolo[4,5-c]pyridine-4-sulfonamide is sourced from PubChem (CID 91290520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).