N-(3-acetylphenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C21H22N2O7S — CID 20945001

IUPACN-(3-acetylphenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCC(C(=O)N2CCOCC2)O3)c1
InChIInChI=1S/C21H22N2O7S/c1-14(24)15-3-2-4-16(11-15)22-31(26,27)17-5-6-18-19(12-17)29-13-20(30-18)21(25)23-7-9-28-10-8-23/h2-6,11-12,20,22H,7-10,13H2,1H3
InChIKeySNVXWUCGBYBZJG-UHFFFAOYSA-N
MW446.48 g/mol
LogP1.69
Rot. Bonds5

About N-(3-acetylphenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-(3-acetylphenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 20945001) has the molecular formula C21H22N2O7S and a molecular weight of 446.48 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID20945001
Molecular FormulaC21H22N2O7S
Molecular Weight446.48 g/mol
Exact Mass446.11
IUPAC NameN-(3-acetylphenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCC(C(=O)N2CCOCC2)O3)c1
InChIInChI=1S/C21H22N2O7S/c1-14(24)15-3-2-4-16(11-15)22-31(26,27)17-5-6-18-19(12-17)29-13-20(30-18)21(25)23-7-9-28-10-8-23/h2-6,11-12,20,22H,7-10,13H2,1H3
InChIKeySNVXWUCGBYBZJG-UHFFFAOYSA-N
XLogP1.69
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxin-6-yl]sulfonylamino]phenyl]acetamide
CID 46339453
N-(4-ethylphenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 20944984
N-(3,4-dimethoxyphenyl)-2-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 20944911
N-(4-ethylphenyl)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 20944928
N-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 20944979
N-(1,3-benzodioxol-5-ylmethyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 20944993
N-(3-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 22548261
(2S)-N-[(3-methylphenyl)methyl]-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 92707893
(2S)-2-(azepane-1-carbonyl)-N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 92693176
[6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-morpholin-4-ylmethanone
CID 20944994
(2S)-2-(piperidine-1-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 92707889
[6-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]-morpholin-4-ylmethanone
CID 20945012

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-(3-acetylphenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 20945001) is N-(3-acetylphenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is CC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCC(C(=O)N2CCOCC2)O3)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is SNVXWUCGBYBZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O7S/c1-14(24)15-3-2-4-16(11-15)22-31(26,27)17-5-6-18-19(12-17)29-13-20(30-18)21(25)23-7-9-28-10-8-23/h2-6,11-12,20,22H,7-10,13H2,1H3.
What are the key properties of N-(3-acetylphenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-(3-acetylphenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 446.48 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 20945001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).