N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzodioxole-5-sulfonamide

C16H15NO6S — CID 110778061

IUPACN-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzodioxole-5-sulfonamide
SMILESCc1cc2c(cc1NS(=O)(=O)c1ccc3c(c1)OCO3)OCCO2
InChIInChI=1S/C16H15NO6S/c1-10-6-14-16(21-5-4-20-14)8-12(10)17-24(18,19)11-2-3-13-15(7-11)23-9-22-13/h2-3,6-8,17H,4-5,9H2,1H3
InChIKeyYPEJZTKNJQENRH-UHFFFAOYSA-N
MW349.36 g/mol
LogP2.30
Rot. Bonds3

About N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzodioxole-5-sulfonamide

N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzodioxole-5-sulfonamide (PubChem CID 110778061) has the molecular formula C16H15NO6S and a molecular weight of 349.36 g/mol. Its IUPAC name is N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzodioxole-5-sulfonamide
PubChem CID110778061
Molecular FormulaC16H15NO6S
Molecular Weight349.36 g/mol
Exact Mass349.06
IUPAC NameN-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzodioxole-5-sulfonamide
SMILESCc1cc2c(cc1NS(=O)(=O)c1ccc3c(c1)OCO3)OCCO2
InChIInChI=1S/C16H15NO6S/c1-10-6-14-16(21-5-4-20-14)8-12(10)17-24(18,19)11-2-3-13-15(7-11)23-9-22-13/h2-3,6-8,17H,4-5,9H2,1H3
InChIKeyYPEJZTKNJQENRH-UHFFFAOYSA-N
XLogP2.30
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
CID 110778052
N-(5-ethyl-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110604065
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylbenzoic acid
CID 4849086
4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-yl]benzenesulfonamide
CID 70139059
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-benzodioxole-5-sulfonamide
CID 110776722
N-(2,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 8500598
N-(1,3-benzodioxol-5-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758954
N-(2,3-dichlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1090608
N-[2-[methyl(methylsulfonyl)amino]phenyl]-1,3-benzodioxole-5-sulfonamide
CID 113093547
N-(4-methoxy-3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110776444
N-(4-iodophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1102354
N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4-methylphenyl]propanamide
CID 55895903

Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzodioxole-5-sulfonamide (CID 110778061) is N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzodioxole-5-sulfonamide is Cc1cc2c(cc1NS(=O)(=O)c1ccc3c(c1)OCO3)OCCO2.
What is the InChIKey of N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzodioxole-5-sulfonamide?
The InChIKey is YPEJZTKNJQENRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO6S/c1-10-6-14-16(21-5-4-20-14)8-12(10)17-24(18,19)11-2-3-13-15(7-11)23-9-22-13/h2-3,6-8,17H,4-5,9H2,1H3.
What are the key properties of N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzodioxole-5-sulfonamide?
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzodioxole-5-sulfonamide has a molecular weight of 349.36 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 110778061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).