N-(1,3-benzodioxol-5-yl)-2-oxo-1H-quinoline-6-sulfonamide

C16H12N2O5S — CID 46361446

IUPACN-(1,3-benzodioxol-5-yl)-2-oxo-1H-quinoline-6-sulfonamide
SMILESO=c1ccc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc2[nH]1
InChIInChI=1S/C16H12N2O5S/c19-16-6-1-10-7-12(3-4-13(10)17-16)24(20,21)18-11-2-5-14-15(8-11)23-9-22-14/h1-8,18H,9H2,(H,17,19)
InChIKeyCMIXVFCREBPTQF-UHFFFAOYSA-N
MW344.35 g/mol
LogP2.06
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2-oxo-1H-quinoline-6-sulfonamide

N-(1,3-benzodioxol-5-yl)-2-oxo-1H-quinoline-6-sulfonamide (PubChem CID 46361446) has the molecular formula C16H12N2O5S and a molecular weight of 344.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-oxo-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-oxo-1H-quinoline-6-sulfonamide
PubChem CID46361446
Molecular FormulaC16H12N2O5S
Molecular Weight344.35 g/mol
Exact Mass344.05
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-oxo-1H-quinoline-6-sulfonamide
SMILESO=c1ccc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc2[nH]1
InChIInChI=1S/C16H12N2O5S/c19-16-6-1-10-7-12(3-4-13(10)17-16)24(20,21)18-11-2-5-14-15(8-11)23-9-22-14/h1-8,18H,9H2,(H,17,19)
InChIKeyCMIXVFCREBPTQF-UHFFFAOYSA-N
XLogP2.06
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-benzodioxole-5-sulfonamide
CID 110776722
N-(1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide
CID 718546
N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-sulfonamide
CID 110724276
N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 4827704
N-(1,3-benzodioxol-5-yl)-3-bromo-4-chlorobenzenesulfonamide
CID 106610854
N-(1,3-benzodioxol-5-yl)-3,4-dimethoxybenzenesulfonamide
CID 768991
N-(1,3-benzodioxol-5-yl)-3,5-difluorobenzenesulfonamide
CID 26951283
N-naphthalen-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846619
N-cycloheptyl-2-oxo-1H-quinoline-6-sulfonamide
CID 22548526
N-(1,3-benzodioxol-5-yl)-4-cyclopentyloxybenzenesulfonamide
CID 110426256
N-[4-(cycloheptylamino)phenyl]-1,3-benzodioxole-5-sulfonamide
CID 112985026
N-(1,3-benzodioxol-5-yl)-2-chloropyridine-4-sulfonamide
CID 61003220

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-oxo-1H-quinoline-6-sulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-oxo-1H-quinoline-6-sulfonamide (CID 46361446) is N-(1,3-benzodioxol-5-yl)-2-oxo-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-oxo-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-oxo-1H-quinoline-6-sulfonamide is O=c1ccc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc2[nH]1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-oxo-1H-quinoline-6-sulfonamide?
The InChIKey is CMIXVFCREBPTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O5S/c19-16-6-1-10-7-12(3-4-13(10)17-16)24(20,21)18-11-2-5-14-15(8-11)23-9-22-14/h1-8,18H,9H2,(H,17,19).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-oxo-1H-quinoline-6-sulfonamide?
N-(1,3-benzodioxol-5-yl)-2-oxo-1H-quinoline-6-sulfonamide has a molecular weight of 344.35 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-oxo-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 46361446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).