N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1-benzothiophene-3-sulfonamide;hydrochloride

C17H17ClN2O2S2 — CID 67984061

IUPACN-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1-benzothiophene-3-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(Nc1ccc2c(c1)CNCC2)c1csc2ccccc12
InChIInChI=1S/C17H16N2O2S2.ClH/c20-23(21,17-11-22-16-4-2-1-3-15(16)17)19-14-6-5-12-7-8-18-10-13(12)9-14;/h1-6,9,11,18-19H,7-8,10H2;1H
InChIKeyDLYQUZOJXNTQIL-UHFFFAOYSA-N
MW380.92 g/mol
LogP3.77
Rot. Bonds3

About N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1-benzothiophene-3-sulfonamide;hydrochloride

N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1-benzothiophene-3-sulfonamide;hydrochloride (PubChem CID 67984061) has the molecular formula C17H17ClN2O2S2 and a molecular weight of 380.92 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1-benzothiophene-3-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1-benzothiophene-3-sulfonamide;hydrochloride
PubChem CID67984061
Molecular FormulaC17H17ClN2O2S2
Molecular Weight380.92 g/mol
Exact Mass380.04
IUPAC NameN-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1-benzothiophene-3-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(Nc1ccc2c(c1)CNCC2)c1csc2ccccc12
InChIInChI=1S/C17H16N2O2S2.ClH/c20-23(21,17-11-22-16-4-2-1-3-15(16)17)19-14-6-5-12-7-8-18-10-13(12)9-14;/h1-6,9,11,18-19H,7-8,10H2;1H
InChIKeyDLYQUZOJXNTQIL-UHFFFAOYSA-N
XLogP3.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1-benzothiophene-3-sulfonamide;hydrochloride
CID 67984145
N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1-benzothiophene-3-sulfonamide;hydrochloride
CID 67984380
2,5-dibromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-3-sulfonamide
CID 63900723
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propane-2-sulfonamide
CID 63902148
4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
CID 20547448
N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606933
4-methyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3H-1,3-thiazole-5-sulfonamide
CID 63901970
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-thiazole-5-sulfonamide
CID 103415147
N-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606927
N-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606923
N-(4-bromophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606929
N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-5-sulfonamide
CID 140564681

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1-benzothiophene-3-sulfonamide;hydrochloride?
The IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1-benzothiophene-3-sulfonamide;hydrochloride (CID 67984061) is N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1-benzothiophene-3-sulfonamide;hydrochloride.
What is the SMILES notation for N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1-benzothiophene-3-sulfonamide;hydrochloride?
The canonical SMILES for N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1-benzothiophene-3-sulfonamide;hydrochloride is Cl.O=S(=O)(Nc1ccc2c(c1)CNCC2)c1csc2ccccc12.
What is the InChIKey of N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1-benzothiophene-3-sulfonamide;hydrochloride?
The InChIKey is DLYQUZOJXNTQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S2.ClH/c20-23(21,17-11-22-16-4-2-1-3-15(16)17)19-14-6-5-12-7-8-18-10-13(12)9-14;/h1-6,9,11,18-19H,7-8,10H2;1H.
What are the key properties of N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1-benzothiophene-3-sulfonamide;hydrochloride?
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1-benzothiophene-3-sulfonamide;hydrochloride has a molecular weight of 380.92 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1-benzothiophene-3-sulfonamide;hydrochloride is sourced from PubChem (CID 67984061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).