1,2,3,4-tetrahydroisoquinoline-7-sulfonyl fluoride;hydrochloride

C9H11ClFNO2S — CID 23336525

IUPAC1,2,3,4-tetrahydroisoquinoline-7-sulfonyl fluoride;hydrochloride
SMILESCl.O=S(=O)(F)c1ccc2c(c1)CNCC2
InChIInChI=1S/C9H10FNO2S.ClH/c10-14(12,13)9-2-1-7-3-4-11-6-8(7)5-9;/h1-2,5,11H,3-4,6H2;1H
InChIKeyKYTLUKJRWOWTTR-UHFFFAOYSA-N
MW251.71 g/mol
LogP1.41
Rot. Bonds1

About 1,2,3,4-tetrahydroisoquinoline-7-sulfonyl fluoride;hydrochloride

1,2,3,4-tetrahydroisoquinoline-7-sulfonyl fluoride;hydrochloride (PubChem CID 23336525) has the molecular formula C9H11ClFNO2S and a molecular weight of 251.71 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroisoquinoline-7-sulfonyl fluoride;hydrochloride.

Molecular Properties

Compound Name1,2,3,4-tetrahydroisoquinoline-7-sulfonyl fluoride;hydrochloride
PubChem CID23336525
Molecular FormulaC9H11ClFNO2S
Molecular Weight251.71 g/mol
Exact Mass251.02
IUPAC Name1,2,3,4-tetrahydroisoquinoline-7-sulfonyl fluoride;hydrochloride
SMILESCl.O=S(=O)(F)c1ccc2c(c1)CNCC2
InChIInChI=1S/C9H10FNO2S.ClH/c10-14(12,13)9-2-1-7-3-4-11-6-8(7)5-9;/h1-2,5,11H,3-4,6H2;1H
InChIKeyKYTLUKJRWOWTTR-UHFFFAOYSA-N
XLogP1.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroisoquinoline-7-sulfonyl fluoride;hydrochloride?
The IUPAC name of 1,2,3,4-tetrahydroisoquinoline-7-sulfonyl fluoride;hydrochloride (CID 23336525) is 1,2,3,4-tetrahydroisoquinoline-7-sulfonyl fluoride;hydrochloride.
What is the SMILES notation for 1,2,3,4-tetrahydroisoquinoline-7-sulfonyl fluoride;hydrochloride?
The canonical SMILES for 1,2,3,4-tetrahydroisoquinoline-7-sulfonyl fluoride;hydrochloride is Cl.O=S(=O)(F)c1ccc2c(c1)CNCC2.
What is the InChIKey of 1,2,3,4-tetrahydroisoquinoline-7-sulfonyl fluoride;hydrochloride?
The InChIKey is KYTLUKJRWOWTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2S.ClH/c10-14(12,13)9-2-1-7-3-4-11-6-8(7)5-9;/h1-2,5,11H,3-4,6H2;1H.
What are the key properties of 1,2,3,4-tetrahydroisoquinoline-7-sulfonyl fluoride;hydrochloride?
1,2,3,4-tetrahydroisoquinoline-7-sulfonyl fluoride;hydrochloride has a molecular weight of 251.71 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroisoquinoline-7-sulfonyl fluoride;hydrochloride is sourced from PubChem (CID 23336525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).