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

C16H19ClN2O2S — CID 12606923

IUPACN-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
SMILESCc1ccc(NS(=O)(=O)c2ccc3c(c2)CNCC3)cc1.Cl
InChIInChI=1S/C16H18N2O2S.ClH/c1-12-2-5-15(6-3-12)18-21(19,20)16-7-4-13-8-9-17-11-14(13)10-16;/h2-7,10,17-18H,8-9,11H2,1H3;1H
InChIKeyCXODANJYOIEJNL-UHFFFAOYSA-N
MW338.86 g/mol
LogP2.86
Rot. Bonds3

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

N-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride (PubChem CID 12606923) has the molecular formula C16H19ClN2O2S and a molecular weight of 338.86 g/mol. Its IUPAC name is N-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
PubChem CID12606923
Molecular FormulaC16H19ClN2O2S
Molecular Weight338.86 g/mol
Exact Mass338.09
IUPAC NameN-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
SMILESCc1ccc(NS(=O)(=O)c2ccc3c(c2)CNCC3)cc1.Cl
InChIInChI=1S/C16H18N2O2S.ClH/c1-12-2-5-15(6-3-12)18-21(19,20)16-7-4-13-8-9-17-11-14(13)10-16;/h2-7,10,17-18H,8-9,11H2,1H3;1H
InChIKeyCXODANJYOIEJNL-UHFFFAOYSA-N
XLogP2.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzenesulfonamide
CID 21222073
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-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606927
N-(2,3-dihydro-1H-isoindol-5-yl)-4-methylbenzenesulfonamide
CID 169371529
4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
CID 20547448
7-methylsulfonyl-1,2,3,4-tetrahydroisoquinoline
CID 23336575
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
N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 135136269

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride?
The IUPAC name of N-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride (CID 12606923) is N-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride.
What is the SMILES notation for N-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride?
The canonical SMILES for N-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride is Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CNCC3)cc1.Cl.
What is the InChIKey of N-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride?
The InChIKey is CXODANJYOIEJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S.ClH/c1-12-2-5-15(6-3-12)18-21(19,20)16-7-4-13-8-9-17-11-14(13)10-16;/h2-7,10,17-18H,8-9,11H2,1H3;1H.
What are the key properties of N-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride?
N-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride has a molecular weight of 338.86 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride is sourced from PubChem (CID 12606923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).