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

C21H24N2O6S — CID 20944984

IUPACN-(4-ethylphenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc3c(c2)OCC(C(=O)N2CCOCC2)O3)cc1
InChIInChI=1S/C21H24N2O6S/c1-2-15-3-5-16(6-4-15)22-30(25,26)17-7-8-18-19(13-17)28-14-20(29-18)21(24)23-9-11-27-12-10-23/h3-8,13,20,22H,2,9-12,14H2,1H3
InChIKeyCOAJDTGPTGQLPD-UHFFFAOYSA-N
MW432.50 g/mol
LogP2.05
Rot. Bonds5

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

N-(4-ethylphenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 20944984) has the molecular formula C21H24N2O6S and a molecular weight of 432.50 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID20944984
Molecular FormulaC21H24N2O6S
Molecular Weight432.50 g/mol
Exact Mass432.14
IUPAC NameN-(4-ethylphenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc3c(c2)OCC(C(=O)N2CCOCC2)O3)cc1
InChIInChI=1S/C21H24N2O6S/c1-2-15-3-5-16(6-4-15)22-30(25,26)17-7-8-18-19(13-17)28-14-20(29-18)21(24)23-9-11-27-12-10-23/h3-8,13,20,22H,2,9-12,14H2,1H3
InChIKeyCOAJDTGPTGQLPD-UHFFFAOYSA-N
XLogP2.05
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethylphenyl)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 20944928
N-[4-[[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxin-6-yl]sulfonylamino]phenyl]acetamide
CID 46339453
N-(3-acetylphenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 20945001
N-(1,3-benzodioxol-5-ylmethyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 20944993
(2S)-2-(piperidine-1-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 92707889
N-(3,4-dimethoxyphenyl)-2-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 20944911
N-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 20944979
(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
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylbenzenesulfonamide
CID 7516335
[2-(4-ethylphenyl)-2-oxoethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate
CID 4588677

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-(4-ethylphenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 20944984) is N-(4-ethylphenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is CCc1ccc(NS(=O)(=O)c2ccc3c(c2)OCC(C(=O)N2CCOCC2)O3)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is COAJDTGPTGQLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6S/c1-2-15-3-5-16(6-4-15)22-30(25,26)17-7-8-18-19(13-17)28-14-20(29-18)21(24)23-9-11-27-12-10-23/h3-8,13,20,22H,2,9-12,14H2,1H3.
What are the key properties of N-(4-ethylphenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-(4-ethylphenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 432.50 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 20944984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).