N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-5-bromofuran-2-carboxamide

C20H17BrN2O4S — CID 18565115

IUPACN-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-5-bromofuran-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2)c1ccc(Br)o1
InChIInChI=1S/C20H17BrN2O4S/c21-19-11-10-18(27-19)20(24)22-15-9-8-14-5-4-12-23(17(14)13-15)28(25,26)16-6-2-1-3-7-16/h1-3,6-11,13H,4-5,12H2,(H,22,24)
InChIKeyPQGWERJVHWHZLT-UHFFFAOYSA-N
MW461.34 g/mol
LogP4.44
Rot. Bonds4

About N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-5-bromofuran-2-carboxamide

N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-5-bromofuran-2-carboxamide (PubChem CID 18565115) has the molecular formula C20H17BrN2O4S and a molecular weight of 461.34 g/mol. Its IUPAC name is N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-5-bromofuran-2-carboxamide
PubChem CID18565115
Molecular FormulaC20H17BrN2O4S
Molecular Weight461.34 g/mol
Exact Mass460.01
IUPAC NameN-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-5-bromofuran-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2)c1ccc(Br)o1
InChIInChI=1S/C20H17BrN2O4S/c21-19-11-10-18(27-19)20(24)22-15-9-8-14-5-4-12-23(17(14)13-15)28(25,26)16-6-2-1-3-7-16/h1-3,6-11,13H,4-5,12H2,(H,22,24)
InChIKeyPQGWERJVHWHZLT-UHFFFAOYSA-N
XLogP4.44
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.34
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-chlorobenzamide
CID 18565097
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,6-difluorobenzamide
CID 18565104
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-methylbenzamide
CID 7517742
5-bromo-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]furan-2-carboxamide
CID 7586241
1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(4-chlorophenyl)urea
CID 30372801
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide
CID 18565098
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-chloro-2,2-dimethylpropanamide
CID 7517769
1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-thiophen-2-ylurea
CID 30372816
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-chloro-5-nitrobenzamide
CID 16825796
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-5-chloro-2-nitrobenzamide
CID 16825795
N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-phenylpropanamide
CID 43990369
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-phenylpropanamide
CID 18565145

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-5-bromofuran-2-carboxamide?
The IUPAC name of N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-5-bromofuran-2-carboxamide (CID 18565115) is N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-5-bromofuran-2-carboxamide?
The canonical SMILES for N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-5-bromofuran-2-carboxamide is O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2)c1ccc(Br)o1.
What is the InChIKey of N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-5-bromofuran-2-carboxamide?
The InChIKey is PQGWERJVHWHZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O4S/c21-19-11-10-18(27-19)20(24)22-15-9-8-14-5-4-12-23(17(14)13-15)28(25,26)16-6-2-1-3-7-16/h1-3,6-11,13H,4-5,12H2,(H,22,24).
What are the key properties of N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-5-bromofuran-2-carboxamide?
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-5-bromofuran-2-carboxamide has a molecular weight of 461.34 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-5-bromofuran-2-carboxamide is sourced from PubChem (CID 18565115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).