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

C17H19NO5S — CID 4784184

IUPACN-[(3-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCOc1cccc(CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C17H19NO5S/c1-18(12-13-4-3-5-14(10-13)21-2)24(19,20)15-6-7-16-17(11-15)23-9-8-22-16/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyAZTDZXVXUQVZAB-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.29
Rot. Bonds5

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

N-[(3-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 4784184) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID4784184
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCOc1cccc(CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C17H19NO5S/c1-18(12-13-4-3-5-14(10-13)21-2)24(19,20)15-6-7-16-17(11-15)23-9-8-22-16/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyAZTDZXVXUQVZAB-UHFFFAOYSA-N
XLogP2.29
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methoxy-5-(4-morpholinylcarbothioyl)phenyl 4-methoxybenzenesulfonate
CID 1796830
1-(1,3-Benzodioxol-5-ylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 663034
6,7-Dimethoxy-2-(4-methoxy-benzenesulfonyl)-1,2,3,4-tetrahydro-isoquinoline
CID 1072691
1-(3,4-Dimethoxybenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
CID 1122329
1-(3-Methoxybenzyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
CID 1131760
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
2-[(3,4-Dimethoxyphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
CID 667700
N-cyclopentyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide
CID 54575618
N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide
CID 56679261
2-(Benzenesulfonyl)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 47644
N-(2-methylbenzyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 652131

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 4784184) is N-[(3-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is COc1cccc(CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is AZTDZXVXUQVZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-18(12-13-4-3-5-14(10-13)21-2)24(19,20)15-6-7-16-17(11-15)23-9-8-22-16/h3-7,10-11H,8-9,12H2,1-2H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-[(3-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 349.41 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 4784184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).