4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propylsulfamoyl]benzamide

C19H23N3O3S — CID 134006882

IUPAC4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propylsulfamoyl]benzamide
SMILESCC(CNS(=O)(=O)c1ccc(C(N)=O)cc1)N1CCc2ccccc2C1
InChIInChI=1S/C19H23N3O3S/c1-14(22-11-10-15-4-2-3-5-17(15)13-22)12-21-26(24,25)18-8-6-16(7-9-18)19(20)23/h2-9,14,21H,10-13H2,1H3,(H2,20,23)
InChIKeySIDILNXBFKCMNS-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.51
Rot. Bonds6

About 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propylsulfamoyl]benzamide

4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propylsulfamoyl]benzamide (PubChem CID 134006882) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propylsulfamoyl]benzamide.

Molecular Properties

Compound Name4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propylsulfamoyl]benzamide
PubChem CID134006882
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propylsulfamoyl]benzamide
SMILESCC(CNS(=O)(=O)c1ccc(C(N)=O)cc1)N1CCc2ccccc2C1
InChIInChI=1S/C19H23N3O3S/c1-14(22-11-10-15-4-2-3-5-17(15)13-22)12-21-26(24,25)18-8-6-16(7-9-18)19(20)23/h2-9,14,21H,10-13H2,1H3,(H2,20,23)
InChIKeySIDILNXBFKCMNS-UHFFFAOYSA-N
XLogP1.51
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzenesulfonamide
CID 134006879
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]ethanesulfonamide
CID 94060161
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-fluorobenzenesulfonamide
CID 134006875
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethylbenzenesulfonamide
CID 35608543
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropanamide
CID 47163208
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-fluorobenzamide
CID 32923012
4-[2-(methylamino)propylsulfamoyl]benzamide
CID 120824934
4-[[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]sulfamoyl]benzamide
CID 124839638
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]cyclopropanecarboxamide
CID 47163209
4-[2-[[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]amino]-2-oxoethoxy]benzamide
CID 95234085
N-[4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]acetamide
CID 16933314
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]benzenesulfonamide
CID 18577861

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propylsulfamoyl]benzamide?
The IUPAC name of 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propylsulfamoyl]benzamide (CID 134006882) is 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propylsulfamoyl]benzamide.
What is the SMILES notation for 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propylsulfamoyl]benzamide?
The canonical SMILES for 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propylsulfamoyl]benzamide is CC(CNS(=O)(=O)c1ccc(C(N)=O)cc1)N1CCc2ccccc2C1.
What is the InChIKey of 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propylsulfamoyl]benzamide?
The InChIKey is SIDILNXBFKCMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-14(22-11-10-15-4-2-3-5-17(15)13-22)12-21-26(24,25)18-8-6-16(7-9-18)19(20)23/h2-9,14,21H,10-13H2,1H3,(H2,20,23).
What are the key properties of 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propylsulfamoyl]benzamide?
4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propylsulfamoyl]benzamide has a molecular weight of 373.48 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propylsulfamoyl]benzamide is sourced from PubChem (CID 134006882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).