N-benzyl-7-sulfamoyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

C17H19N3O3S — CID 110354899

IUPACN-benzyl-7-sulfamoyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESNS(=O)(=O)c1ccc2c(c1)CN(C(=O)NCc1ccccc1)CC2
InChIInChI=1S/C17H19N3O3S/c18-24(22,23)16-7-6-14-8-9-20(12-15(14)10-16)17(21)19-11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,19,21)(H2,18,22,23)
InChIKeyHGLQVYVPMKHRRA-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.60
Rot. Bonds3

About N-benzyl-7-sulfamoyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-benzyl-7-sulfamoyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 110354899) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-benzyl-7-sulfamoyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-7-sulfamoyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID110354899
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-benzyl-7-sulfamoyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESNS(=O)(=O)c1ccc2c(c1)CN(C(=O)NCc1ccccc1)CC2
InChIInChI=1S/C17H19N3O3S/c18-24(22,23)16-7-6-14-8-9-20(12-15(14)10-16)17(21)19-11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,19,21)(H2,18,22,23)
InChIKeyHGLQVYVPMKHRRA-UHFFFAOYSA-N
XLogP1.60
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-7-sulfamoyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110632531
2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110294059
N'-methyl-N-[(3-sulfamoylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 110946624
N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide;N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
CID 158996862
N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide
CID 66634544
N'-methyl-N-[(3-sulfamoylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110946623
N-[[3-(methylsulfamoylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 49262790
N-benzyl-7-(benzylcarbamoylamino)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 24803963
2-[3-(2-chlorophenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110632522
5-sulfamoyl-1,3-dihydroisoindole-2-carboxylic acid
CID 71089634
2-[3-(4-fluorophenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110632520
N-[(3-sulfamoylphenyl)methyl]morpholine-4-carboxamide
CID 113224255

Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-sulfamoyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-benzyl-7-sulfamoyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 110354899) is N-benzyl-7-sulfamoyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-benzyl-7-sulfamoyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-benzyl-7-sulfamoyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is NS(=O)(=O)c1ccc2c(c1)CN(C(=O)NCc1ccccc1)CC2.
What is the InChIKey of N-benzyl-7-sulfamoyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is HGLQVYVPMKHRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c18-24(22,23)16-7-6-14-8-9-20(12-15(14)10-16)17(21)19-11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,19,21)(H2,18,22,23).
What are the key properties of N-benzyl-7-sulfamoyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-benzyl-7-sulfamoyl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-sulfamoyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 110354899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).