4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)naphthalene-1-sulfonamide;hydrochloride

C19H18ClFN2O2S — CID 67985273

IUPAC4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)naphthalene-1-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(Nc1cccc2c1CCNC2)c1ccc(F)c2ccccc12
InChIInChI=1S/C19H17FN2O2S.ClH/c20-17-8-9-19(16-6-2-1-5-15(16)17)25(23,24)22-18-7-3-4-13-12-21-11-10-14(13)18;/h1-9,21-22H,10-12H2;1H
InChIKeyYEIZWDQMIRAMBJ-UHFFFAOYSA-N
MW392.88 g/mol
LogP3.85
Rot. Bonds3

About 4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)naphthalene-1-sulfonamide;hydrochloride

4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)naphthalene-1-sulfonamide;hydrochloride (PubChem CID 67985273) has the molecular formula C19H18ClFN2O2S and a molecular weight of 392.88 g/mol. Its IUPAC name is 4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)naphthalene-1-sulfonamide;hydrochloride.

Molecular Properties

Compound Name4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)naphthalene-1-sulfonamide;hydrochloride
PubChem CID67985273
Molecular FormulaC19H18ClFN2O2S
Molecular Weight392.88 g/mol
Exact Mass392.08
IUPAC Name4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)naphthalene-1-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(Nc1cccc2c1CCNC2)c1ccc(F)c2ccccc12
InChIInChI=1S/C19H17FN2O2S.ClH/c20-17-8-9-19(16-6-2-1-5-15(16)17)25(23,24)22-18-7-3-4-13-12-21-11-10-14(13)18;/h1-9,21-22H,10-12H2;1H
InChIKeyYEIZWDQMIRAMBJ-UHFFFAOYSA-N
XLogP3.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.88
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)naphthalene-1-sulfonamide;hydrochloride?
The IUPAC name of 4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)naphthalene-1-sulfonamide;hydrochloride (CID 67985273) is 4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)naphthalene-1-sulfonamide;hydrochloride.
What is the SMILES notation for 4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)naphthalene-1-sulfonamide;hydrochloride?
The canonical SMILES for 4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)naphthalene-1-sulfonamide;hydrochloride is Cl.O=S(=O)(Nc1cccc2c1CCNC2)c1ccc(F)c2ccccc12.
What is the InChIKey of 4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)naphthalene-1-sulfonamide;hydrochloride?
The InChIKey is YEIZWDQMIRAMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S.ClH/c20-17-8-9-19(16-6-2-1-5-15(16)17)25(23,24)22-18-7-3-4-13-12-21-11-10-14(13)18;/h1-9,21-22H,10-12H2;1H.
What are the key properties of 4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)naphthalene-1-sulfonamide;hydrochloride?
4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)naphthalene-1-sulfonamide;hydrochloride has a molecular weight of 392.88 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)naphthalene-1-sulfonamide;hydrochloride is sourced from PubChem (CID 67985273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).