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

C16H15F3N2O2S — CID 57053540

IUPACN-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
SMILESO=S(=O)(Nc1ccccc1C(F)(F)F)c1ccc2c(c1)CNCC2
InChIInChI=1S/C16H15F3N2O2S/c17-16(18,19)14-3-1-2-4-15(14)21-24(22,23)13-6-5-11-7-8-20-10-12(11)9-13/h1-6,9,20-21H,7-8,10H2
InChIKeySOUUTTSJTNNLRC-UHFFFAOYSA-N
MW356.37 g/mol
LogP3.15
Rot. Bonds3

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

N-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide (PubChem CID 57053540) has the molecular formula C16H15F3N2O2S and a molecular weight of 356.37 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
PubChem CID57053540
Molecular FormulaC16H15F3N2O2S
Molecular Weight356.37 g/mol
Exact Mass356.08
IUPAC NameN-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
SMILESO=S(=O)(Nc1ccccc1C(F)(F)F)c1ccc2c(c1)CNCC2
InChIInChI=1S/C16H15F3N2O2S/c17-16(18,19)14-3-1-2-4-15(14)21-24(22,23)13-6-5-11-7-8-20-10-12(11)9-13/h1-6,9,20-21H,7-8,10H2
InChIKeySOUUTTSJTNNLRC-UHFFFAOYSA-N
XLogP3.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide?
The IUPAC name of N-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide (CID 57053540) is N-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide.
What is the SMILES notation for N-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide?
The canonical SMILES for N-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide is O=S(=O)(Nc1ccccc1C(F)(F)F)c1ccc2c(c1)CNCC2.
What is the InChIKey of N-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide?
The InChIKey is SOUUTTSJTNNLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2S/c17-16(18,19)14-3-1-2-4-15(14)21-24(22,23)13-6-5-11-7-8-20-10-12(11)9-13/h1-6,9,20-21H,7-8,10H2.
What are the key properties of N-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide?
N-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide has a molecular weight of 356.37 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide is sourced from PubChem (CID 57053540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).