N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

C19H19ClN2O5S — CID 24563854

IUPACN-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)NCCc3cc(Cl)c4c(c3)OCCO4)ccc2N1
InChIInChI=1S/C19H19ClN2O5S/c20-15-9-12(10-17-19(15)27-8-7-26-17)5-6-21-28(24,25)14-2-3-16-13(11-14)1-4-18(23)22-16/h2-3,9-11,21H,1,4-8H2,(H,22,23)
InChIKeyITLZZRDUNYJCEM-UHFFFAOYSA-N
MW422.89 g/mol
LogP2.52
Rot. Bonds5

About N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 24563854) has the molecular formula C19H19ClN2O5S and a molecular weight of 422.89 g/mol. Its IUPAC name is N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID24563854
Molecular FormulaC19H19ClN2O5S
Molecular Weight422.89 g/mol
Exact Mass422.07
IUPAC NameN-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)NCCc3cc(Cl)c4c(c3)OCCO4)ccc2N1
InChIInChI=1S/C19H19ClN2O5S/c20-15-9-12(10-17-19(15)27-8-7-26-17)5-6-21-28(24,25)14-2-3-16-13(11-14)1-4-18(23)22-16/h2-3,9-11,21H,1,4-8H2,(H,22,23)
InChIKeyITLZZRDUNYJCEM-UHFFFAOYSA-N
XLogP2.52
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.89
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]benzenesulfonamide
CID 55464111
N-(2-hydroxyethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 96667560
N-(2-morpholin-4-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8777856
N-[2-(4-chlorophenyl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113098245
3,4-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
CID 43008790
2-oxo-N-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8843324
2-oxo-N-(2-phenylsulfanylethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 27665585
N-(3-carbazol-9-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 154858696
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 30668156
2-oxo-N-propyl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 45106789
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 55464121
N-[3-(methylamino)propyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride
CID 119964840

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 24563854) is N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is O=C1CCc2cc(S(=O)(=O)NCCc3cc(Cl)c4c(c3)OCCO4)ccc2N1.
What is the InChIKey of N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is ITLZZRDUNYJCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O5S/c20-15-9-12(10-17-19(15)27-8-7-26-17)5-6-21-28(24,25)14-2-3-16-13(11-14)1-4-18(23)22-16/h2-3,9-11,21H,1,4-8H2,(H,22,23).
What are the key properties of N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 422.89 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 24563854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).