isoquinolin-3-ylmethanesulfonyl chloride

C10H8ClNO2S — CID 84801159

IUPACisoquinolin-3-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cc2ccccc2cn1
InChIInChI=1S/C10H8ClNO2S/c11-15(13,14)7-10-5-8-3-1-2-4-9(8)6-12-10/h1-6H,7H2
InChIKeyFRMQJYMUHBBPJJ-UHFFFAOYSA-N
MW241.70 g/mol
LogP2.30
Rot. Bonds2

About isoquinolin-3-ylmethanesulfonyl chloride

isoquinolin-3-ylmethanesulfonyl chloride (PubChem CID 84801159) has the molecular formula C10H8ClNO2S and a molecular weight of 241.70 g/mol. Its IUPAC name is isoquinolin-3-ylmethanesulfonyl chloride.

Molecular Properties

Compound Nameisoquinolin-3-ylmethanesulfonyl chloride
PubChem CID84801159
Molecular FormulaC10H8ClNO2S
Molecular Weight241.70 g/mol
Exact Mass241.00
IUPAC Nameisoquinolin-3-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cc2ccccc2cn1
InChIInChI=1S/C10H8ClNO2S/c11-15(13,14)7-10-5-8-3-1-2-4-9(8)6-12-10/h1-6H,7H2
InChIKeyFRMQJYMUHBBPJJ-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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Related Compounds

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3-(isoquinolin-3-ylmethoxy)aniline
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4-chloro-N-[(4-cyanophenyl)methyl]-N-(isoquinolin-3-ylmethyl)benzenesulfonamide
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[3-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride
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Frequently Asked Questions

What is the IUPAC name of isoquinolin-3-ylmethanesulfonyl chloride?
The IUPAC name of isoquinolin-3-ylmethanesulfonyl chloride (CID 84801159) is isoquinolin-3-ylmethanesulfonyl chloride.
What is the SMILES notation for isoquinolin-3-ylmethanesulfonyl chloride?
The canonical SMILES for isoquinolin-3-ylmethanesulfonyl chloride is O=S(=O)(Cl)Cc1cc2ccccc2cn1.
What is the InChIKey of isoquinolin-3-ylmethanesulfonyl chloride?
The InChIKey is FRMQJYMUHBBPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2S/c11-15(13,14)7-10-5-8-3-1-2-4-9(8)6-12-10/h1-6H,7H2.
What are the key properties of isoquinolin-3-ylmethanesulfonyl chloride?
isoquinolin-3-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-3-ylmethanesulfonyl chloride is sourced from PubChem (CID 84801159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).