N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-4-methylbenzenesulfonamide

C18H21NO4S — CID 2968696

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-4-methylbenzenesulfonamide
SMILESCCN(CC1COc2ccccc2O1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H21NO4S/c1-3-19(24(20,21)16-10-8-14(2)9-11-16)12-15-13-22-17-6-4-5-7-18(17)23-15/h4-11,15H,3,12-13H2,1-2H3
InChIKeyUOVZBDDHUTURET-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.85
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-4-methylbenzenesulfonamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-4-methylbenzenesulfonamide (PubChem CID 2968696) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-4-methylbenzenesulfonamide
PubChem CID2968696
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-4-methylbenzenesulfonamide
SMILESCCN(CC1COc2ccccc2O1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H21NO4S/c1-3-19(24(20,21)16-10-8-14(2)9-11-16)12-15-13-22-17-6-4-5-7-18(17)23-15/h4-11,15H,3,12-13H2,1-2H3
InChIKeyUOVZBDDHUTURET-UHFFFAOYSA-N
XLogP2.85
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonyl)-4-(toluene-4-sulfonyl)-piperazine
CID 644661
1-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonyl)-4-(toluene-4-sulfonyl)-[1,4]diazepane
CID 647117
N-{2-[1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-piperidin-4-yl]-ethyl}-4-methyl-benzenesulfonamide
CID 10717529
1-(4-Methylphenyl)sulfonyl-4-(2-phenoxyethyl)piperazine
CID 2747482
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)naphthalene-2-sulfonamide
CID 5041879
1-(2,6-Difluoro-4-propylphenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 46883916
2-methoxy-5-[(2R)-2-[[(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]propyl]benzenesulfonamide
CID 50905588
2-methoxy-5-[(2R)-2-[[(2R,3S)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]propyl]benzenesulfonamide
CID 50905589
4-[2-(2,3-Dihydro-1,4-benzodioxin-3-ylmethylamino)ethoxy]benzenesulfonamide;hydrochloride
CID 168270594
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846883
1-(2,5-Difluoro-4-propylphenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 25243745
N-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-4-methyl-benzenesulfonamide
CID 3130295

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-4-methylbenzenesulfonamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-4-methylbenzenesulfonamide (CID 2968696) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-4-methylbenzenesulfonamide is CCN(CC1COc2ccccc2O1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-4-methylbenzenesulfonamide?
The InChIKey is UOVZBDDHUTURET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-3-19(24(20,21)16-10-8-14(2)9-11-16)12-15-13-22-17-6-4-5-7-18(17)23-15/h4-11,15H,3,12-13H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-4-methylbenzenesulfonamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-4-methylbenzenesulfonamide has a molecular weight of 347.44 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-4-methylbenzenesulfonamide is sourced from PubChem (CID 2968696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).