isoquinoline-1-sulfonyl chloride;hydrochloride

C9H7Cl2NO2S — CID 19796336

IUPACisoquinoline-1-sulfonyl chloride;hydrochloride
SMILESCl.O=S(=O)(Cl)c1nccc2ccccc12
InChIInChI=1S/C9H6ClNO2S.ClH/c10-14(12,13)9-8-4-2-1-3-7(8)5-6-11-9;/h1-6H;1H
InChIKeyXUBAVYCXVHECEC-UHFFFAOYSA-N
MW264.13 g/mol
LogP2.58
Rot. Bonds1

About isoquinoline-1-sulfonyl chloride;hydrochloride

isoquinoline-1-sulfonyl chloride;hydrochloride (PubChem CID 19796336) has the molecular formula C9H7Cl2NO2S and a molecular weight of 264.13 g/mol. Its IUPAC name is isoquinoline-1-sulfonyl chloride;hydrochloride.

Molecular Properties

Compound Nameisoquinoline-1-sulfonyl chloride;hydrochloride
PubChem CID19796336
Molecular FormulaC9H7Cl2NO2S
Molecular Weight264.13 g/mol
Exact Mass262.96
IUPAC Nameisoquinoline-1-sulfonyl chloride;hydrochloride
SMILESCl.O=S(=O)(Cl)c1nccc2ccccc12
InChIInChI=1S/C9H6ClNO2S.ClH/c10-14(12,13)9-8-4-2-1-3-7(8)5-6-11-9;/h1-6H;1H
InChIKeyXUBAVYCXVHECEC-UHFFFAOYSA-N
XLogP2.58
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.13
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of isoquinoline-1-sulfonyl chloride;hydrochloride?
The IUPAC name of isoquinoline-1-sulfonyl chloride;hydrochloride (CID 19796336) is isoquinoline-1-sulfonyl chloride;hydrochloride.
What is the SMILES notation for isoquinoline-1-sulfonyl chloride;hydrochloride?
The canonical SMILES for isoquinoline-1-sulfonyl chloride;hydrochloride is Cl.O=S(=O)(Cl)c1nccc2ccccc12.
What is the InChIKey of isoquinoline-1-sulfonyl chloride;hydrochloride?
The InChIKey is XUBAVYCXVHECEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2S.ClH/c10-14(12,13)9-8-4-2-1-3-7(8)5-6-11-9;/h1-6H;1H.
What are the key properties of isoquinoline-1-sulfonyl chloride;hydrochloride?
isoquinoline-1-sulfonyl chloride;hydrochloride has a molecular weight of 264.13 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinoline-1-sulfonyl chloride;hydrochloride is sourced from PubChem (CID 19796336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).