N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]furan-2-carboxamide

C20H17FN2O4S — CID 16930286

IUPACN-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)CN(S(=O)(=O)c1ccc(F)cc1)CC2)c1ccco1
InChIInChI=1S/C20H17FN2O4S/c21-16-4-7-18(8-5-16)28(25,26)23-10-9-14-3-6-17(12-15(14)13-23)22-20(24)19-2-1-11-27-19/h1-8,11-12H,9-10,13H2,(H,22,24)
InChIKeyBNKZUKXUDFVHED-UHFFFAOYSA-N
MW400.43 g/mol
LogP3.42
Rot. Bonds4

About N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]furan-2-carboxamide

N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]furan-2-carboxamide (PubChem CID 16930286) has the molecular formula C20H17FN2O4S and a molecular weight of 400.43 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]furan-2-carboxamide
PubChem CID16930286
Molecular FormulaC20H17FN2O4S
Molecular Weight400.43 g/mol
Exact Mass400.09
IUPAC NameN-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)CN(S(=O)(=O)c1ccc(F)cc1)CC2)c1ccco1
InChIInChI=1S/C20H17FN2O4S/c21-16-4-7-18(8-5-16)28(25,26)23-10-9-14-3-6-17(12-15(14)13-23)22-20(24)19-2-1-11-27-19/h1-8,11-12H,9-10,13H2,(H,22,24)
InChIKeyBNKZUKXUDFVHED-UHFFFAOYSA-N
XLogP3.42
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide
CID 16930034
N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide
CID 16930619
N-[2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-fluorophenyl)acetamide
CID 16930392
3,4-diethoxy-N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16930290
N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-fluorophenoxy)acetamide
CID 16930802
2-methyl-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16930116
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-bromobenzamide
CID 16930774
benzyl N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]carbamate
CID 16930748
2-chloro-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16930176
N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide
CID 24793463
5-(furan-2-carbonylamino)-1,3-dihydroisoindole-2-carboxylic acid
CID 138520836

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]furan-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]furan-2-carboxamide (CID 16930286) is N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]furan-2-carboxamide is O=C(Nc1ccc2c(c1)CN(S(=O)(=O)c1ccc(F)cc1)CC2)c1ccco1.
What is the InChIKey of N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]furan-2-carboxamide?
The InChIKey is BNKZUKXUDFVHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4S/c21-16-4-7-18(8-5-16)28(25,26)23-10-9-14-3-6-17(12-15(14)13-23)22-20(24)19-2-1-11-27-19/h1-8,11-12H,9-10,13H2,(H,22,24).
What are the key properties of N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]furan-2-carboxamide?
N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]furan-2-carboxamide has a molecular weight of 400.43 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]furan-2-carboxamide is sourced from PubChem (CID 16930286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).