N-dibenzofuran-2-yl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide

C28H22N2O4S — CID 24685944

IUPACN-dibenzofuran-2-yl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
SMILESO=C(Nc1ccc2oc3ccccc3c2c1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C28H22N2O4S/c31-28(29-22-11-14-27-25(17-22)24-7-3-4-8-26(24)34-27)20-9-12-23(13-10-20)35(32,33)30-16-15-19-5-1-2-6-21(19)18-30/h1-14,17H,15-16,18H2,(H,29,31)
InChIKeyPDITXNRCJDEMAW-UHFFFAOYSA-N
MW482.56 g/mol
LogP5.59
Rot. Bonds4

About N-dibenzofuran-2-yl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide

N-dibenzofuran-2-yl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide (PubChem CID 24685944) has the molecular formula C28H22N2O4S and a molecular weight of 482.56 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
PubChem CID24685944
Molecular FormulaC28H22N2O4S
Molecular Weight482.56 g/mol
Exact Mass482.13
IUPAC NameN-dibenzofuran-2-yl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
SMILESO=C(Nc1ccc2oc3ccccc3c2c1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C28H22N2O4S/c31-28(29-22-11-14-27-25(17-22)24-7-3-4-8-26(24)34-27)20-9-12-23(13-10-20)35(32,33)30-16-15-19-5-1-2-6-21(19)18-30/h1-14,17H,15-16,18H2,(H,29,31)
InChIKeyPDITXNRCJDEMAW-UHFFFAOYSA-N
XLogP5.59
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.56
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzofuran-2-yl-4-methylsulfonylbenzamide
CID 18081219
N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3,4-dimethylbenzamide
CID 16930767
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-propylbenzamide
CID 32736672
2-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]benzamide
CID 1087744
N-dibenzofuran-2-yl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2110736
4-chloro-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16930119
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(9,10-dioxoanthracen-1-yl)benzamide
CID 3497381
N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3,4-dichlorobenzamide
CID 16930749
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-ethylsulfonylphenyl)benzamide
CID 30841105
N-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
CID 140701304
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16831180
N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-methylbenzamide
CID 16930795

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide?
The IUPAC name of N-dibenzofuran-2-yl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide (CID 24685944) is N-dibenzofuran-2-yl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide.
What is the SMILES notation for N-dibenzofuran-2-yl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide?
The canonical SMILES for N-dibenzofuran-2-yl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide is O=C(Nc1ccc2oc3ccccc3c2c1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide?
The InChIKey is PDITXNRCJDEMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O4S/c31-28(29-22-11-14-27-25(17-22)24-7-3-4-8-26(24)34-27)20-9-12-23(13-10-20)35(32,33)30-16-15-19-5-1-2-6-21(19)18-30/h1-14,17H,15-16,18H2,(H,29,31).
What are the key properties of N-dibenzofuran-2-yl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide?
N-dibenzofuran-2-yl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide has a molecular weight of 482.56 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide is sourced from PubChem (CID 24685944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).