N-[2-(5,6,7,8-tetrahydroisoquinoline-1-carbonyl)phenyl]benzenesulfonamide

C22H20N2O3S — CID 59788716

IUPACN-[2-(5,6,7,8-tetrahydroisoquinoline-1-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1nccc2c1CCCC2
InChIInChI=1S/C22H20N2O3S/c25-22(21-18-11-5-4-8-16(18)14-15-23-21)19-12-6-7-13-20(19)24-28(26,27)17-9-2-1-3-10-17/h1-3,6-7,9-10,12-15,24H,4-5,8,11H2
InChIKeyOHZAWLGLVGVVRT-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.99
Rot. Bonds5

About N-[2-(5,6,7,8-tetrahydroisoquinoline-1-carbonyl)phenyl]benzenesulfonamide

N-[2-(5,6,7,8-tetrahydroisoquinoline-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 59788716) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[2-(5,6,7,8-tetrahydroisoquinoline-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5,6,7,8-tetrahydroisoquinoline-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID59788716
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC NameN-[2-(5,6,7,8-tetrahydroisoquinoline-1-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1nccc2c1CCCC2
InChIInChI=1S/C22H20N2O3S/c25-22(21-18-11-5-4-8-16(18)14-15-23-21)19-12-6-7-13-20(19)24-28(26,27)17-9-2-1-3-10-17/h1-3,6-7,9-10,12-15,24H,4-5,8,11H2
InChIKeyOHZAWLGLVGVVRT-UHFFFAOYSA-N
XLogP3.99
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

2-Amino-5-(pyridin-4-yl)-3-(4-sulfamoylphenyl)benzamide
CID 16047968
N-Benzyl-N-pyridin-3-ylmethyl-2-(toluene-4-sulfonylamino)-benzamide
CID 9826037
N-[(1S)-1-phenylpropyl]-2-(quinolin-8-ylsulfonylamino)benzamide
CID 9889729
N-(5-oxo-3-phenyl-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl)methanesulfonamide
CID 15981007
N-(2-oxo-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl)ethanesulfonamide
CID 53310397
N-(2-oxo-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl)ethenesulfonamide
CID 53310398
N-(2-oxo-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl)benzenesulfonamide
CID 53310399
N-[4-(4,5-dioxo-3-phenylindol-1-yl)sulfonylphenyl]acetamide
CID 137655418
2-[Benzyl-(toluene-4-sulfonyl)-amino]-N-pyridin-3-ylmethyl-benzamide
CID 1235274
N-(4-{[2-(Pyridine-3-carbonyl)phenyl]sulfamoyl}phenyl)acetamide
CID 24895183
N-{4-[({2-[(5-Fluoropyridin-2-yl)carbonyl]phenyl}amino)sulfonyl]phenyl}acetamide
CID 24895184
N-(4-{[2-(Pyridine-2-carbonyl)phenyl]sulfamoyl}phenyl)acetamide
CID 24895354

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6,7,8-tetrahydroisoquinoline-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[2-(5,6,7,8-tetrahydroisoquinoline-1-carbonyl)phenyl]benzenesulfonamide (CID 59788716) is N-[2-(5,6,7,8-tetrahydroisoquinoline-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(5,6,7,8-tetrahydroisoquinoline-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[2-(5,6,7,8-tetrahydroisoquinoline-1-carbonyl)phenyl]benzenesulfonamide is O=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1nccc2c1CCCC2.
What is the InChIKey of N-[2-(5,6,7,8-tetrahydroisoquinoline-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is OHZAWLGLVGVVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c25-22(21-18-11-5-4-8-16(18)14-15-23-21)19-12-6-7-13-20(19)24-28(26,27)17-9-2-1-3-10-17/h1-3,6-7,9-10,12-15,24H,4-5,8,11H2.
What are the key properties of N-[2-(5,6,7,8-tetrahydroisoquinoline-1-carbonyl)phenyl]benzenesulfonamide?
N-[2-(5,6,7,8-tetrahydroisoquinoline-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6,7,8-tetrahydroisoquinoline-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 59788716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).