N-(4-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C17H19NO5S — CID 110776965

IUPACN-(4-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCCCOc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C17H19NO5S/c1-2-9-21-14-5-3-13(4-6-14)18-24(19,20)15-7-8-16-17(12-15)23-11-10-22-16/h3-8,12,18H,2,9-11H2,1H3
InChIKeyUEHLZVBPNMBFLA-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.05
Rot. Bonds6

About N-(4-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-(4-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 110776965) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(4-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-(4-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID110776965
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC NameN-(4-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCCCOc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C17H19NO5S/c1-2-9-21-14-5-3-13(4-6-14)18-24(19,20)15-7-8-16-17(12-15)23-11-10-22-16/h3-8,12,18H,2,9-11H2,1H3
InChIKeyUEHLZVBPNMBFLA-UHFFFAOYSA-N
XLogP3.05
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenoxy]acetamide
CID 25334983
N-[4-[(2S)-butan-2-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 7940763
N-(4-iodophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1102354
2-(4-propoxyphenoxy)ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate
CID 55322667
N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-4-propoxybenzenesulfonamide
CID 40889465
N-(4-propan-2-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2273106
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1334565
N-(1,3-benzodioxol-5-yl)-4-ethoxybenzenesulfonamide
CID 975650
1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-3-ethylthiourea
CID 8603787
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 5186215
N-(4-cyclopentyloxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 35548290
N-[5-(propylamino)-2-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113023518

Frequently Asked Questions

What is the IUPAC name of N-(4-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-(4-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 110776965) is N-(4-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-(4-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-(4-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is CCCOc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of N-(4-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is UEHLZVBPNMBFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-2-9-21-14-5-3-13(4-6-14)18-24(19,20)15-7-8-16-17(12-15)23-11-10-22-16/h3-8,12,18H,2,9-11H2,1H3.
What are the key properties of N-(4-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-(4-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 349.41 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 110776965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).