N-methyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C18H21NO5S — CID 19260129

IUPACN-methyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCc1ccccc1OCCN(C)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H21NO5S/c1-14-5-3-4-6-16(14)22-10-9-19(2)25(20,21)15-7-8-17-18(13-15)24-12-11-23-17/h3-8,13H,9-12H2,1-2H3
InChIKeyQXXCGSDJCKHERS-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.47
Rot. Bonds6

About N-methyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-methyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 19260129) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-methyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID19260129
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC NameN-methyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCc1ccccc1OCCN(C)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H21NO5S/c1-14-5-3-4-6-16(14)22-10-9-19(2)25(20,21)15-7-8-17-18(13-15)24-12-11-23-17/h3-8,13H,9-12H2,1-2H3
InChIKeyQXXCGSDJCKHERS-UHFFFAOYSA-N
XLogP2.47
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 19260141
4-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide
CID 26544444
3-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide
CID 26544458
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846883
ethyl 4-[methyl-[2-(2-methylphenoxy)ethyl]sulfamoyl]benzoate
CID 17465115
N-(2-hydroxypropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 55060783
1-acetyl-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 42933253
2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide
CID 26544462
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]acetic acid
CID 2893755
N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide
CID 26979272
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 55952295
N-[2-(2,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzenesulfonamide
CID 112787894

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-methyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 19260129) is N-methyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-methyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-methyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is Cc1ccccc1OCCN(C)S(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-methyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is QXXCGSDJCKHERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-14-5-3-4-6-16(14)22-10-9-19(2)25(20,21)15-7-8-17-18(13-15)24-12-11-23-17/h3-8,13H,9-12H2,1-2H3.
What are the key properties of N-methyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-methyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 363.44 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 19260129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).