2-[5-(methylsulfamoyl)furan-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

C16H16N2O6S — CID 119196052

IUPAC2-[5-(methylsulfamoyl)furan-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
SMILESCNS(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3CC2C(=O)O)o1
InChIInChI=1S/C16H16N2O6S/c1-17-25(22,23)14-7-6-13(24-14)15(19)18-9-11-5-3-2-4-10(11)8-12(18)16(20)21/h2-7,12,17H,8-9H2,1H3,(H,20,21)
InChIKeyYDHXPWVRESIKDC-UHFFFAOYSA-N
MW364.38 g/mol
LogP0.84
Rot. Bonds4

About 2-[5-(methylsulfamoyl)furan-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

2-[5-(methylsulfamoyl)furan-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (PubChem CID 119196052) has the molecular formula C16H16N2O6S and a molecular weight of 364.38 g/mol. Its IUPAC name is 2-[5-(methylsulfamoyl)furan-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-[5-(methylsulfamoyl)furan-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
PubChem CID119196052
Molecular FormulaC16H16N2O6S
Molecular Weight364.38 g/mol
Exact Mass364.07
IUPAC Name2-[5-(methylsulfamoyl)furan-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
SMILESCNS(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3CC2C(=O)O)o1
InChIInChI=1S/C16H16N2O6S/c1-17-25(22,23)14-7-6-13(24-14)15(19)18-9-11-5-3-2-4-10(11)8-12(18)16(20)21/h2-7,12,17H,8-9H2,1H3,(H,20,21)
InChIKeyYDHXPWVRESIKDC-UHFFFAOYSA-N
XLogP0.84
TPSA116.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[5-(methylsulfamoyl)furan-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-methylfuran-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 43209932
2-[[4-(methylsulfamoyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 77094995
(3R)-2-[4-(methylsulfonylmethyl)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 125132899
(3S)-2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 2303227
(3S)-2-(4-methylsulfonylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 124546478
2-(propan-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 43208679
2-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 119196076
2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 16779266
2-(3-phenyl-1,2-oxazole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 122143499
N-methyl-5-(2-propan-2-ylpyrrolidine-1-carbonyl)furan-2-sulfonamide
CID 47416164
2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 120976569
(3R)-2-(1-methylpyrazole-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 103116430

Frequently Asked Questions

What is the IUPAC name of 2-[5-(methylsulfamoyl)furan-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid?
The IUPAC name of 2-[5-(methylsulfamoyl)furan-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (CID 119196052) is 2-[5-(methylsulfamoyl)furan-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid.
What is the SMILES notation for 2-[5-(methylsulfamoyl)furan-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid?
The canonical SMILES for 2-[5-(methylsulfamoyl)furan-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid is CNS(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3CC2C(=O)O)o1.
What is the InChIKey of 2-[5-(methylsulfamoyl)furan-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid?
The InChIKey is YDHXPWVRESIKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O6S/c1-17-25(22,23)14-7-6-13(24-14)15(19)18-9-11-5-3-2-4-10(11)8-12(18)16(20)21/h2-7,12,17H,8-9H2,1H3,(H,20,21).
What are the key properties of 2-[5-(methylsulfamoyl)furan-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid?
2-[5-(methylsulfamoyl)furan-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid has a molecular weight of 364.38 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methylsulfamoyl)furan-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid is sourced from PubChem (CID 119196052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).