benzenesulfonyl chloride;4-fluoroisoquinoline

C15H11ClFNO2S — CID 159688216

IUPACbenzenesulfonyl chloride;4-fluoroisoquinoline
SMILESFc1cncc2ccccc12.O=S(=O)(Cl)c1ccccc1
InChIInChI=1S/C9H6FN.C6H5ClO2S/c10-9-6-11-5-7-3-1-2-4-8(7)9;7-10(8,9)6-4-2-1-3-5-6/h1-6H;1-5H
InChIKeyMWBOJNPDXKPYJJ-UHFFFAOYSA-N
MW323.78 g/mol
LogP3.99
Rot. Bonds1

About benzenesulfonyl chloride;4-fluoroisoquinoline

benzenesulfonyl chloride;4-fluoroisoquinoline (PubChem CID 159688216) has the molecular formula C15H11ClFNO2S and a molecular weight of 323.78 g/mol. Its IUPAC name is benzenesulfonyl chloride;4-fluoroisoquinoline.

Molecular Properties

Compound Namebenzenesulfonyl chloride;4-fluoroisoquinoline
PubChem CID159688216
Molecular FormulaC15H11ClFNO2S
Molecular Weight323.78 g/mol
Exact Mass323.02
IUPAC Namebenzenesulfonyl chloride;4-fluoroisoquinoline
SMILESFc1cncc2ccccc12.O=S(=O)(Cl)c1ccccc1
InChIInChI=1S/C9H6FN.C6H5ClO2S/c10-9-6-11-5-7-3-1-2-4-8(7)9;7-10(8,9)6-4-2-1-3-5-6/h1-6H;1-5H
InChIKeyMWBOJNPDXKPYJJ-UHFFFAOYSA-N
XLogP3.99
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzenesulfonyl chloride;4-fluoroisoquinoline?
The IUPAC name of benzenesulfonyl chloride;4-fluoroisoquinoline (CID 159688216) is benzenesulfonyl chloride;4-fluoroisoquinoline.
What is the SMILES notation for benzenesulfonyl chloride;4-fluoroisoquinoline?
The canonical SMILES for benzenesulfonyl chloride;4-fluoroisoquinoline is Fc1cncc2ccccc12.O=S(=O)(Cl)c1ccccc1.
What is the InChIKey of benzenesulfonyl chloride;4-fluoroisoquinoline?
The InChIKey is MWBOJNPDXKPYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN.C6H5ClO2S/c10-9-6-11-5-7-3-1-2-4-8(7)9;7-10(8,9)6-4-2-1-3-5-6/h1-6H;1-5H.
What are the key properties of benzenesulfonyl chloride;4-fluoroisoquinoline?
benzenesulfonyl chloride;4-fluoroisoquinoline has a molecular weight of 323.78 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonyl chloride;4-fluoroisoquinoline is sourced from PubChem (CID 159688216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).