N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C16H17NO4S — CID 846883

IUPACN-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H17NO4S/c1-17(12-13-5-3-2-4-6-13)22(18,19)14-7-8-15-16(11-14)21-10-9-20-15/h2-8,11H,9-10,12H2,1H3
InChIKeyBZNGGQRBMXLWNQ-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.28
Rot. Bonds4

About N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 846883) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID846883
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC NameN-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H17NO4S/c1-17(12-13-5-3-2-4-6-13)22(18,19)14-7-8-15-16(11-14)21-10-9-20-15/h2-8,11H,9-10,12H2,1H3
InChIKeyBZNGGQRBMXLWNQ-UHFFFAOYSA-N
XLogP2.28
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluorophenyl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 31391407
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 26899144
N-(2-hydroxypropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 55060783
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-ethyl-N-methylbenzenesulfonamide
CID 18191917
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]acetic acid
CID 2893755
N-[(2-fluorophenyl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 31391555
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 9302463
N-methyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 19260129
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 31391415
N-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methylpropanamide
CID 34284353
N-benzyl-2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-methylanilino]-N-methylacetamide
CID 4787146
N,N-diethyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2866313

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 846883) is N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is BZNGGQRBMXLWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-17(12-13-5-3-2-4-6-13)22(18,19)14-7-8-15-16(11-14)21-10-9-20-15/h2-8,11H,9-10,12H2,1H3.
What are the key properties of N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 319.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 846883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).