4-chloro-N-isoquinolin-8-ylbenzenesulfinamide

C15H11ClN2OS — CID 121325457

IUPAC4-chloro-N-isoquinolin-8-ylbenzenesulfinamide
SMILESO=S(Nc1cccc2ccncc12)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2OS/c16-12-4-6-13(7-5-12)20(19)18-15-3-1-2-11-8-9-17-10-14(11)15/h1-10,18H
InChIKeyZRGMZBBJIQALFI-UHFFFAOYSA-N
MW302.79 g/mol
LogP4.02
Rot. Bonds3

About 4-chloro-N-isoquinolin-8-ylbenzenesulfinamide

4-chloro-N-isoquinolin-8-ylbenzenesulfinamide (PubChem CID 121325457) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is 4-chloro-N-isoquinolin-8-ylbenzenesulfinamide.

Molecular Properties

Compound Name4-chloro-N-isoquinolin-8-ylbenzenesulfinamide
PubChem CID121325457
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC Name4-chloro-N-isoquinolin-8-ylbenzenesulfinamide
SMILESO=S(Nc1cccc2ccncc12)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2OS/c16-12-4-6-13(7-5-12)20(19)18-15-3-1-2-11-8-9-17-10-14(11)15/h1-10,18H
InChIKeyZRGMZBBJIQALFI-UHFFFAOYSA-N
XLogP4.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-isoquinolin-8-ylbenzenesulfinamide?
The IUPAC name of 4-chloro-N-isoquinolin-8-ylbenzenesulfinamide (CID 121325457) is 4-chloro-N-isoquinolin-8-ylbenzenesulfinamide.
What is the SMILES notation for 4-chloro-N-isoquinolin-8-ylbenzenesulfinamide?
The canonical SMILES for 4-chloro-N-isoquinolin-8-ylbenzenesulfinamide is O=S(Nc1cccc2ccncc12)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-isoquinolin-8-ylbenzenesulfinamide?
The InChIKey is ZRGMZBBJIQALFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c16-12-4-6-13(7-5-12)20(19)18-15-3-1-2-11-8-9-17-10-14(11)15/h1-10,18H.
What are the key properties of 4-chloro-N-isoquinolin-8-ylbenzenesulfinamide?
4-chloro-N-isoquinolin-8-ylbenzenesulfinamide has a molecular weight of 302.79 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-isoquinolin-8-ylbenzenesulfinamide is sourced from PubChem (CID 121325457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).