8-chloroisoquinoline-5-sulfonyl chloride

C9H5Cl2NO2S — CID 71314751

IUPAC8-chloroisoquinoline-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Cl)c2cnccc12
InChIInChI=1S/C9H5Cl2NO2S/c10-8-1-2-9(15(11,13)14)6-3-4-12-5-7(6)8/h1-5H
InChIKeyGSPFRFWBDZCXBV-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.82
Rot. Bonds1

About 8-chloroisoquinoline-5-sulfonyl chloride

8-chloroisoquinoline-5-sulfonyl chloride (PubChem CID 71314751) has the molecular formula C9H5Cl2NO2S and a molecular weight of 262.12 g/mol. Its IUPAC name is 8-chloroisoquinoline-5-sulfonyl chloride.

Molecular Properties

Compound Name8-chloroisoquinoline-5-sulfonyl chloride
PubChem CID71314751
Molecular FormulaC9H5Cl2NO2S
Molecular Weight262.12 g/mol
Exact Mass260.94
IUPAC Name8-chloroisoquinoline-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Cl)c2cnccc12
InChIInChI=1S/C9H5Cl2NO2S/c10-8-1-2-9(15(11,13)14)6-3-4-12-5-7(6)8/h1-5H
InChIKeyGSPFRFWBDZCXBV-UHFFFAOYSA-N
XLogP2.82
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-5-piperazin-1-ylsulfonylisoquinoline
CID 3653475
8-chloro-5-fluoroisoquinoline
CID 124707448
8-chloroisoquinolin-5-amine
CID 53421157
8-chloro-5-nitroisoquinoline
CID 53420876
1H-pyrrolo[2,3-c]pyridine-3-sulfonyl chloride
CID 83821681
5-chloroquinoline-8-sulfonyl chloride
CID 4206949
(8-chloroisoquinolin-5-yl)methanamine
CID 82573574
1-(8-chloroisoquinolin-5-yl)ethanamine
CID 82575686
1,4-diazepane;isoquinoline-5-sulfonyl chloride
CID 175135065
4-(fluoromethyl)pyridine-3-sulfonyl chloride
CID 129453019
3-(8-chloroisoquinolin-5-yl)propanamide
CID 82578302
2,3-dichloro-4-[(3-chloro-4-pyridinyl)methoxy]benzenesulfonyl chloride
CID 82912787

Frequently Asked Questions

What is the IUPAC name of 8-chloroisoquinoline-5-sulfonyl chloride?
The IUPAC name of 8-chloroisoquinoline-5-sulfonyl chloride (CID 71314751) is 8-chloroisoquinoline-5-sulfonyl chloride.
What is the SMILES notation for 8-chloroisoquinoline-5-sulfonyl chloride?
The canonical SMILES for 8-chloroisoquinoline-5-sulfonyl chloride is O=S(=O)(Cl)c1ccc(Cl)c2cnccc12.
What is the InChIKey of 8-chloroisoquinoline-5-sulfonyl chloride?
The InChIKey is GSPFRFWBDZCXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2NO2S/c10-8-1-2-9(15(11,13)14)6-3-4-12-5-7(6)8/h1-5H.
What are the key properties of 8-chloroisoquinoline-5-sulfonyl chloride?
8-chloroisoquinoline-5-sulfonyl chloride has a molecular weight of 262.12 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloroisoquinoline-5-sulfonyl chloride is sourced from PubChem (CID 71314751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).