N-(6-acetyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C17H15NO7S — CID 648127

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCC(=O)c1cc2c(cc1NS(=O)(=O)c1ccc3c(c1)OCCO3)OCO2
InChIInChI=1S/C17H15NO7S/c1-10(19)12-7-16-17(25-9-24-16)8-13(12)18-26(20,21)11-2-3-14-15(6-11)23-5-4-22-14/h2-3,6-8,18H,4-5,9H2,1H3
InChIKeyOYFXWKVNKRLADN-UHFFFAOYSA-N
MW377.37 g/mol
LogP2.19
Rot. Bonds4

About N-(6-acetyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-(6-acetyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 648127) has the molecular formula C17H15NO7S and a molecular weight of 377.37 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID648127
Molecular FormulaC17H15NO7S
Molecular Weight377.37 g/mol
Exact Mass377.06
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCC(=O)c1cc2c(cc1NS(=O)(=O)c1ccc3c(c1)OCCO3)OCO2
InChIInChI=1S/C17H15NO7S/c1-10(19)12-7-16-17(25-9-24-16)8-13(12)18-26(20,21)11-2-3-14-15(6-11)23-5-4-22-14/h2-3,6-8,18H,4-5,9H2,1H3
InChIKeyOYFXWKVNKRLADN-UHFFFAOYSA-N
XLogP2.19
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(6-acetyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide with MolForge

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Related Compounds

N-(7-Acetyl-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-methylbenzenesulfonamide
CID 1263107
1,5-g]Quinolin-8-one, 6-(3-ethoxyphenyl)-5,8-dihydro-
CID 377395
(2E)-1-(6-amino-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 5878033
2-(4-Ethoxybenzenesulfonamido)-4,5-dimethoxybenzoic acid
CID 2082583
Benzene-1,4-disulfonic acid 1-[(6-acetyl-benzo[1,3]dioxol-5-yl)-amide] 4-diethylamide
CID 654034
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-methylbenzenesulfonamide
CID 858777
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-methoxybenzenesulfonamide
CID 858780
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-fluorobenzenesulfonamide
CID 858779
3-(6-Acetyl-benzo[1,3]dioxol-5-ylsulfamoyl)-benzoic acid
CID 1448336
Benzene-1,4-disulfonic acid 1-[(6-acetyl-benzo[1,3]dioxol-5-yl)-amide] 4-sec-butylamide
CID 645971
N-(6-acetyl-1,3-benzodioxol-5-yl)benzenesulfonamide
CID 858778
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-bromobenzenesulfonamide
CID 1448335

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 648127) is N-(6-acetyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is CC(=O)c1cc2c(cc1NS(=O)(=O)c1ccc3c(c1)OCCO3)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is OYFXWKVNKRLADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO7S/c1-10(19)12-7-16-17(25-9-24-16)8-13(12)18-26(20,21)11-2-3-14-15(6-11)23-5-4-22-14/h2-3,6-8,18H,4-5,9H2,1H3.
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 377.37 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 648127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).