4-[2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide

C17H17BrN2O3S — CID 56580624

IUPAC4-[2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CC(=O)N2CCCc3cc(Br)ccc32)cc1
InChIInChI=1S/C17H17BrN2O3S/c18-14-5-8-16-13(11-14)2-1-9-20(16)17(21)10-12-3-6-15(7-4-12)24(19,22)23/h3-8,11H,1-2,9-10H2,(H2,19,22,23)
InChIKeyZPQXMKVVBRUNMO-UHFFFAOYSA-N
MW409.31 g/mol
LogP2.62
Rot. Bonds3

About 4-[2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide

4-[2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide (PubChem CID 56580624) has the molecular formula C17H17BrN2O3S and a molecular weight of 409.31 g/mol. Its IUPAC name is 4-[2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
PubChem CID56580624
Molecular FormulaC17H17BrN2O3S
Molecular Weight409.31 g/mol
Exact Mass408.01
IUPAC Name4-[2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CC(=O)N2CCCc3cc(Br)ccc32)cc1
InChIInChI=1S/C17H17BrN2O3S/c18-14-5-8-16-13(11-14)2-1-9-20(16)17(21)10-12-3-6-15(7-4-12)24(19,22)23/h3-8,11H,1-2,9-10H2,(H2,19,22,23)
InChIKeyZPQXMKVVBRUNMO-UHFFFAOYSA-N
XLogP2.62
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 4-[2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide (CID 56580624) is 4-[2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CC(=O)N2CCCc3cc(Br)ccc32)cc1.
What is the InChIKey of 4-[2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is ZPQXMKVVBRUNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3S/c18-14-5-8-16-13(11-14)2-1-9-20(16)17(21)10-12-3-6-15(7-4-12)24(19,22)23/h3-8,11H,1-2,9-10H2,(H2,19,22,23).
What are the key properties of 4-[2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide?
4-[2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 409.31 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 56580624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).