N-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride

C15H15Cl3N2O2S — CID 12606927

IUPACN-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)CNCC2
InChIInChI=1S/C15H14Cl2N2O2S.ClH/c16-14-4-2-12(8-15(14)17)19-22(20,21)13-3-1-10-5-6-18-9-11(10)7-13;/h1-4,7-8,18-19H,5-6,9H2;1H
InChIKeyVNXCWORZDZBYDA-UHFFFAOYSA-N
MW393.72 g/mol
LogP3.86
Rot. Bonds3

About N-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride

N-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride (PubChem CID 12606927) has the molecular formula C15H15Cl3N2O2S and a molecular weight of 393.72 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
PubChem CID12606927
Molecular FormulaC15H15Cl3N2O2S
Molecular Weight393.72 g/mol
Exact Mass391.99
IUPAC NameN-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)CNCC2
InChIInChI=1S/C15H14Cl2N2O2S.ClH/c16-14-4-2-12(8-15(14)17)19-22(20,21)13-3-1-10-5-6-18-9-11(10)7-13;/h1-4,7-8,18-19H,5-6,9H2;1H
InChIKeyVNXCWORZDZBYDA-UHFFFAOYSA-N
XLogP3.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.72
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-(4-bromophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606929
N-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606923
N-(4-bromophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 12606928
N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606935
N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 135136269
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzenesulfonamide
CID 21222073
N-(3,4-dichlorophenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9055840
N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 711099
4-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
CID 11163741
2,2-dimethyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonylamino)phenyl]propanamide
CID 142040428

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride?
The IUPAC name of N-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride (CID 12606927) is N-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride?
The canonical SMILES for N-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride is Cl.O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)CNCC2.
What is the InChIKey of N-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride?
The InChIKey is VNXCWORZDZBYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2S.ClH/c16-14-4-2-12(8-15(14)17)19-22(20,21)13-3-1-10-5-6-18-9-11(10)7-13;/h1-4,7-8,18-19H,5-6,9H2;1H.
What are the key properties of N-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride?
N-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride has a molecular weight of 393.72 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride is sourced from PubChem (CID 12606927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).