3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(furan-2-ylmethyl)benzenesulfonamide

C21H20N2O4S — CID 109064448

IUPAC3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)NCc2ccco2)c1)N1CCCc2ccccc21
InChIInChI=1S/C21H20N2O4S/c24-21(23-12-4-8-16-6-1-2-11-20(16)23)17-7-3-10-19(14-17)28(25,26)22-15-18-9-5-13-27-18/h1-3,5-7,9-11,13-14,22H,4,8,12,15H2
InChIKeyUMZVXVALVKLBMJ-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.35
Rot. Bonds5

About 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(furan-2-ylmethyl)benzenesulfonamide

3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 109064448) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID109064448
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC Name3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)NCc2ccco2)c1)N1CCCc2ccccc21
InChIInChI=1S/C21H20N2O4S/c24-21(23-12-4-8-16-6-1-2-11-20(16)23)17-7-3-10-19(14-17)28(25,26)22-15-18-9-5-13-27-18/h1-3,5-7,9-11,13-14,22H,4,8,12,15H2
InChIKeyUMZVXVALVKLBMJ-UHFFFAOYSA-N
XLogP3.35
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-ethylbenzenesulfonamide
CID 51160598
3-(furan-2-ylmethylsulfamoyl)benzoic acid
CID 972732
N-(furan-2-ylmethyl)-3-(1,2-oxazolidine-2-carbonyl)benzenesulfonamide
CID 99803055
3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 26590679
N-(furan-2-ylmethyl)-3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 25489711
3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 109064798
N-(furan-2-ylmethyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109064445
3-(2,3-dihydroindole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 26681015
N-(3-chlorophenyl)-3-(2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 2632900
1-(cyclobutanecarbonyl)-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 3238776
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 4828945
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-[(3-fluorophenyl)sulfonylamino]acetamide
CID 154838378

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(furan-2-ylmethyl)benzenesulfonamide (CID 109064448) is 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(furan-2-ylmethyl)benzenesulfonamide is O=C(c1cccc(S(=O)(=O)NCc2ccco2)c1)N1CCCc2ccccc21.
What is the InChIKey of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is UMZVXVALVKLBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c24-21(23-12-4-8-16-6-1-2-11-20(16)23)17-7-3-10-19(14-17)28(25,26)22-15-18-9-5-13-27-18/h1-3,5-7,9-11,13-14,22H,4,8,12,15H2.
What are the key properties of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(furan-2-ylmethyl)benzenesulfonamide?
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 396.47 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 109064448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).