2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide

C14H14N2O4S — CID 110294059

IUPAC2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CN(C(=O)c1ccco1)CC2
InChIInChI=1S/C14H14N2O4S/c15-21(18,19)12-4-3-10-5-6-16(9-11(10)8-12)14(17)13-2-1-7-20-13/h1-4,7-8H,5-6,9H2,(H2,15,18,19)
InChIKeySJGGFUZGVJKLFB-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.13
Rot. Bonds2

About 2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide

2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide (PubChem CID 110294059) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide.

Molecular Properties

Compound Name2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
PubChem CID110294059
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CN(C(=O)c1ccco1)CC2
InChIInChI=1S/C14H14N2O4S/c15-21(18,19)12-4-3-10-5-6-16(9-11(10)8-12)14(17)13-2-1-7-20-13/h1-4,7-8H,5-6,9H2,(H2,15,18,19)
InChIKeySJGGFUZGVJKLFB-UHFFFAOYSA-N
XLogP1.13
TPSA93.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

furan-2-yl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 47284651
2-[3-(furan-2-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110310919
1-bromo-N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide
CID 16944023
2-(4-methylbenzoyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110294064
N-benzyl-7-sulfamoyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110354899
3-chloro-N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide
CID 16943990
2-(4-tert-butylbenzoyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110294078
N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-(2-methylpropoxy)benzenesulfonamide
CID 16944049
2,5-dichloro-N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide
CID 16943996
2-(cyclohexanecarbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110294055
5-fluoro-N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methylbenzenesulfonamide
CID 16944032
N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methoxyacetamide
CID 16943271

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
The IUPAC name of 2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide (CID 110294059) is 2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide.
What is the SMILES notation for 2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
The canonical SMILES for 2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide is NS(=O)(=O)c1ccc2c(c1)CN(C(=O)c1ccco1)CC2.
What is the InChIKey of 2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
The InChIKey is SJGGFUZGVJKLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c15-21(18,19)12-4-3-10-5-6-16(9-11(10)8-12)14(17)13-2-1-7-20-13/h1-4,7-8H,5-6,9H2,(H2,15,18,19).
What are the key properties of 2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide has a molecular weight of 306.34 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide is sourced from PubChem (CID 110294059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).