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

C17H21ClN2O2S — CID 12606933

IUPACN-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
SMILESCc1ccc(NS(=O)(=O)c2ccc3c(c2)CNCC3)cc1C.Cl
InChIInChI=1S/C17H20N2O2S.ClH/c1-12-3-5-16(9-13(12)2)19-22(20,21)17-6-4-14-7-8-18-11-15(14)10-17;/h3-6,9-10,18-19H,7-8,11H2,1-2H3;1H
InChIKeyCVHTWTIWGJQVAO-UHFFFAOYSA-N
MW352.89 g/mol
LogP3.17
Rot. Bonds3

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

N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride (PubChem CID 12606933) has the molecular formula C17H21ClN2O2S and a molecular weight of 352.89 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
PubChem CID12606933
Molecular FormulaC17H21ClN2O2S
Molecular Weight352.89 g/mol
Exact Mass352.10
IUPAC NameN-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
SMILESCc1ccc(NS(=O)(=O)c2ccc3c(c2)CNCC3)cc1C.Cl
InChIInChI=1S/C17H20N2O2S.ClH/c1-12-3-5-16(9-13(12)2)19-22(20,21)17-6-4-14-7-8-18-11-15(14)10-17;/h3-6,9-10,18-19H,7-8,11H2,1-2H3;1H
InChIKeyCVHTWTIWGJQVAO-UHFFFAOYSA-N
XLogP3.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606923
N-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606927
N-(4-bromophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606929
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-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421746
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzenesulfonamide
CID 21222073
4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
CID 20547448
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
N-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 44623892

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride?
The IUPAC name of N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride (CID 12606933) is N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride?
The canonical SMILES for N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride is Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CNCC3)cc1C.Cl.
What is the InChIKey of N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride?
The InChIKey is CVHTWTIWGJQVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S.ClH/c1-12-3-5-16(9-13(12)2)19-22(20,21)17-6-4-14-7-8-18-11-15(14)10-17;/h3-6,9-10,18-19H,7-8,11H2,1-2H3;1H.
What are the key properties of N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride?
N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride has a molecular weight of 352.89 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride is sourced from PubChem (CID 12606933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).