N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride

C16H16ClF3N2O2S — CID 12606935

IUPACN-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CNCC2
InChIInChI=1S/C16H15F3N2O2S.ClH/c17-16(18,19)13-2-4-14(5-3-13)21-24(22,23)15-6-1-11-7-8-20-10-12(11)9-15;/h1-6,9,20-21H,7-8,10H2;1H
InChIKeyZVXBVNJJVSDLLQ-UHFFFAOYSA-N
MW392.83 g/mol
LogP3.57
Rot. Bonds3

About N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride

N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride (PubChem CID 12606935) has the molecular formula C16H16ClF3N2O2S and a molecular weight of 392.83 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
PubChem CID12606935
Molecular FormulaC16H16ClF3N2O2S
Molecular Weight392.83 g/mol
Exact Mass392.06
IUPAC NameN-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CNCC2
InChIInChI=1S/C16H15F3N2O2S.ClH/c17-16(18,19)13-2-4-14(5-3-13)21-24(22,23)15-6-1-11-7-8-20-10-12(11)9-15;/h1-6,9,20-21H,7-8,10H2;1H
InChIKeyZVXBVNJJVSDLLQ-UHFFFAOYSA-N
XLogP3.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.83
LogP ≤ 53.57
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-(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-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606927
N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606933
N-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 57053540
4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
CID 20547448
2-(2,2,2-trifluoroacetyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 3583163
1,2,3,4-tetrahydroisoquinoline-7-sulfonyl fluoride;hydrochloride
CID 23336525
N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 135136269
2,2-dimethyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonylamino)phenyl]propanamide
CID 142040428
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzenesulfonamide
CID 21222073

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride (CID 12606935) is N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride is Cl.O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CNCC2.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride?
The InChIKey is ZVXBVNJJVSDLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2S.ClH/c17-16(18,19)13-2-4-14(5-3-13)21-24(22,23)15-6-1-11-7-8-20-10-12(11)9-15;/h1-6,9,20-21H,7-8,10H2;1H.
What are the key properties of N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride?
N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride has a molecular weight of 392.83 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride is sourced from PubChem (CID 12606935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).