N-(1,4-dioxan-2-ylmethyl)-4-methyl-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]benzenesulfonamide

C24H26N2O7S — CID 3203395

IUPACN-(1,4-dioxan-2-ylmethyl)-4-methyl-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)CC2COCCO2)cc1
InChIInChI=1S/C24H26N2O7S/c1-16-2-4-20(5-3-16)34(28,29)26(14-19-15-30-6-7-31-19)13-18-10-17-11-22-23(33-9-8-32-22)12-21(17)25-24(18)27/h2-5,10-12,19H,6-9,13-15H2,1H3,(H,25,27)
InChIKeyGYYGQMNZGXUWKL-UHFFFAOYSA-N
MW486.55 g/mol
LogP2.21
Rot. Bonds6

About N-(1,4-dioxan-2-ylmethyl)-4-methyl-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]benzenesulfonamide

N-(1,4-dioxan-2-ylmethyl)-4-methyl-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]benzenesulfonamide (PubChem CID 3203395) has the molecular formula C24H26N2O7S and a molecular weight of 486.55 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-4-methyl-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-4-methyl-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]benzenesulfonamide
PubChem CID3203395
Molecular FormulaC24H26N2O7S
Molecular Weight486.55 g/mol
Exact Mass486.15
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-4-methyl-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)CC2COCCO2)cc1
InChIInChI=1S/C24H26N2O7S/c1-16-2-4-20(5-3-16)34(28,29)26(14-19-15-30-6-7-31-19)13-18-10-17-11-22-23(33-9-8-32-22)12-21(17)25-24(18)27/h2-5,10-12,19H,6-9,13-15H2,1H3,(H,25,27)
InChIKeyGYYGQMNZGXUWKL-UHFFFAOYSA-N
XLogP2.21
TPSA107.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1,4-dioxan-2-ylmethyl)-4-methyl-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]benzenesulfonamide with MolForge

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Related Compounds

N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide
CID 1437034
N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)benzenesulfonamide
CID 3203422
4-tert-butyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)benzenesulfonamide
CID 3203415
4-fluoro-N-[(4-methylphenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]benzenesulfonamide
CID 1436889
4-tert-butyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2S)-1,4-dioxan-2-yl]methyl]benzenesulfonamide
CID 1436995
N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 40615404
4-chloro-N-(1,4-dioxan-2-ylmethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 655996
N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethylbenzenesulfonamide
CID 1437036
4-chloro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1073171
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3765229
4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1168870
4-tert-butyl-N-(2-hydroxyethyl)-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]benzenesulfonamide
CID 1432334

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-4-methyl-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]benzenesulfonamide?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-4-methyl-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]benzenesulfonamide (CID 3203395) is N-(1,4-dioxan-2-ylmethyl)-4-methyl-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-4-methyl-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-4-methyl-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)CC2COCCO2)cc1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-4-methyl-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]benzenesulfonamide?
The InChIKey is GYYGQMNZGXUWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O7S/c1-16-2-4-20(5-3-16)34(28,29)26(14-19-15-30-6-7-31-19)13-18-10-17-11-22-23(33-9-8-32-22)12-21(17)25-24(18)27/h2-5,10-12,19H,6-9,13-15H2,1H3,(H,25,27).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-4-methyl-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]benzenesulfonamide?
N-(1,4-dioxan-2-ylmethyl)-4-methyl-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]benzenesulfonamide has a molecular weight of 486.55 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-4-methyl-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 3203395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).