N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide

C17H14N2O5S — CID 110324331

IUPACN-[(2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide
SMILESO=c1[nH]c2ccccc2cc1CNS(=O)(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H14N2O5S/c20-17-12(7-11-3-1-2-4-14(11)19-17)9-18-25(21,22)13-5-6-15-16(8-13)24-10-23-15/h1-8,18H,9-10H2,(H,19,20)
InChIKeyYKPZEGNGYDXGEG-UHFFFAOYSA-N
MW358.38 g/mol
LogP1.74
Rot. Bonds4

About N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide

N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide (PubChem CID 110324331) has the molecular formula C17H14N2O5S and a molecular weight of 358.38 g/mol. Its IUPAC name is N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-[(2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide
PubChem CID110324331
Molecular FormulaC17H14N2O5S
Molecular Weight358.38 g/mol
Exact Mass358.06
IUPAC NameN-[(2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide
SMILESO=c1[nH]c2ccccc2cc1CNS(=O)(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H14N2O5S/c20-17-12(7-11-3-1-2-4-14(11)19-17)9-18-25(21,22)13-5-6-15-16(8-13)24-10-23-15/h1-8,18H,9-10H2,(H,19,20)
InChIKeyYKPZEGNGYDXGEG-UHFFFAOYSA-N
XLogP1.74
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methyl-1H-indol-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110782363
N-[4-[(2-oxo-1H-quinolin-3-yl)methylsulfamoyl]phenyl]acetamide
CID 110324340
N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110324306
N-(1,3-benzodioxol-5-ylmethyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 25048579
1-acetyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 110324349
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110400819
4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324590
3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324619
N-[(4-aminophenyl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 39439652
N-[(4-ethylphenyl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110779544
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120721486
N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 9302037

Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide (CID 110324331) is N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide is O=c1[nH]c2ccccc2cc1CNS(=O)(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide?
The InChIKey is YKPZEGNGYDXGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5S/c20-17-12(7-11-3-1-2-4-14(11)19-17)9-18-25(21,22)13-5-6-15-16(8-13)24-10-23-15/h1-8,18H,9-10H2,(H,19,20).
What are the key properties of N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide?
N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide has a molecular weight of 358.38 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 110324331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).