(E)-N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]-2-phenylethenesulfonamide

C23H20N2O2S — CID 22640485

IUPAC(E)-N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]-2-phenylethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)Nc1cccc(C2=NCCc3ccccc32)c1
InChIInChI=1S/C23H20N2O2S/c26-28(27,16-14-18-7-2-1-3-8-18)25-21-11-6-10-20(17-21)23-22-12-5-4-9-19(22)13-15-24-23/h1-12,14,16-17,25H,13,15H2/b16-14+
InChIKeyUDLJKIFKMZACRR-JQIJEIRASA-N
MW388.49 g/mol
LogP4.49
Rot. Bonds5

About (E)-N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]-2-phenylethenesulfonamide

(E)-N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]-2-phenylethenesulfonamide (PubChem CID 22640485) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is (E)-N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]-2-phenylethenesulfonamide
PubChem CID22640485
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC Name(E)-N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]-2-phenylethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)Nc1cccc(C2=NCCc3ccccc32)c1
InChIInChI=1S/C23H20N2O2S/c26-28(27,16-14-18-7-2-1-3-8-18)25-21-11-6-10-20(17-21)23-22-12-5-4-9-19(22)13-15-24-23/h1-12,14,16-17,25H,13,15H2/b16-14+
InChIKeyUDLJKIFKMZACRR-JQIJEIRASA-N
XLogP4.49
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]-2,6-difluorobenzenesulfonamide
CID 22640460
(E)-N-(9H-fluoren-2-yl)-2-phenylethenesulfonamide
CID 51109658
N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 22640535
(E)-2-phenyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethenesulfonamide
CID 122286209
N-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540858
(E)-N-[3-(diethylamino)phenyl]-2-phenylethenesulfonamide
CID 58752965
(E)-N-(3-cyclopentyloxyphenyl)-2-phenylethenesulfonamide
CID 35547764
(E)-N-(4-amino-3,5-dichlorophenyl)-2-phenylethenesulfonamide
CID 8538690
(Z)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide
CID 24867440
N-(3-methylsulfinylphenyl)-2-phenylethenesulfonamide
CID 72690490
N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]-2,6-difluorobenzenesulfonamide
CID 22640501
3-[3-(2-phenylethenylsulfonylamino)phenyl]prop-2-enoate
CID 4741044

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]-2-phenylethenesulfonamide (CID 22640485) is (E)-N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]-2-phenylethenesulfonamide is O=S(=O)(/C=C/c1ccccc1)Nc1cccc(C2=NCCc3ccccc32)c1.
What is the InChIKey of (E)-N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]-2-phenylethenesulfonamide?
The InChIKey is UDLJKIFKMZACRR-JQIJEIRASA-N. The full InChI is InChI=1S/C23H20N2O2S/c26-28(27,16-14-18-7-2-1-3-8-18)25-21-11-6-10-20(17-21)23-22-12-5-4-9-19(22)13-15-24-23/h1-12,14,16-17,25H,13,15H2/b16-14+.
What are the key properties of (E)-N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]-2-phenylethenesulfonamide?
(E)-N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]-2-phenylethenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 22640485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).