isoquinolin-8-ylmethanesulfonyl chloride

C10H8ClNO2S — CID 84702854

IUPACisoquinolin-8-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cccc2ccncc12
InChIInChI=1S/C10H8ClNO2S/c11-15(13,14)7-9-3-1-2-8-4-5-12-6-10(8)9/h1-6H,7H2
InChIKeyVQOORDYUTBPJDT-UHFFFAOYSA-N
MW241.70 g/mol
LogP2.30
Rot. Bonds2

About isoquinolin-8-ylmethanesulfonyl chloride

isoquinolin-8-ylmethanesulfonyl chloride (PubChem CID 84702854) has the molecular formula C10H8ClNO2S and a molecular weight of 241.70 g/mol. Its IUPAC name is isoquinolin-8-ylmethanesulfonyl chloride.

Molecular Properties

Compound Nameisoquinolin-8-ylmethanesulfonyl chloride
PubChem CID84702854
Molecular FormulaC10H8ClNO2S
Molecular Weight241.70 g/mol
Exact Mass241.00
IUPAC Nameisoquinolin-8-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cccc2ccncc12
InChIInChI=1S/C10H8ClNO2S/c11-15(13,14)7-9-3-1-2-8-4-5-12-6-10(8)9/h1-6H,7H2
InChIKeyVQOORDYUTBPJDT-UHFFFAOYSA-N
XLogP2.30
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of isoquinolin-8-ylmethanesulfonyl chloride?
The IUPAC name of isoquinolin-8-ylmethanesulfonyl chloride (CID 84702854) is isoquinolin-8-ylmethanesulfonyl chloride.
What is the SMILES notation for isoquinolin-8-ylmethanesulfonyl chloride?
The canonical SMILES for isoquinolin-8-ylmethanesulfonyl chloride is O=S(=O)(Cl)Cc1cccc2ccncc12.
What is the InChIKey of isoquinolin-8-ylmethanesulfonyl chloride?
The InChIKey is VQOORDYUTBPJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2S/c11-15(13,14)7-9-3-1-2-8-4-5-12-6-10(8)9/h1-6H,7H2.
What are the key properties of isoquinolin-8-ylmethanesulfonyl chloride?
isoquinolin-8-ylmethanesulfonyl chloride has a molecular weight of 241.70 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-8-ylmethanesulfonyl chloride is sourced from PubChem (CID 84702854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).