2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-propylbenzamide

C18H20N2O5S — CID 647880

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H20N2O5S/c1-2-9-19-18(21)14-5-3-4-6-15(14)20-26(22,23)13-7-8-16-17(12-13)25-11-10-24-16/h3-8,12,20H,2,9-11H2,1H3,(H,19,21)
InChIKeyKLRUGLPHGGDSJU-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.40
Rot. Bonds6

About 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-propylbenzamide

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-propylbenzamide (PubChem CID 647880) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-propylbenzamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-propylbenzamide
PubChem CID647880
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H20N2O5S/c1-2-9-19-18(21)14-5-3-4-6-15(14)20-26(22,23)13-7-8-16-17(12-13)25-11-10-24-16/h3-8,12,20H,2,9-11H2,1H3,(H,19,21)
InChIKeyKLRUGLPHGGDSJU-UHFFFAOYSA-N
XLogP2.40
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Sivelestat
CID 107706
Sivelestat Sodium
CID 23663985
sivelestat sodium anhydrous
CID 23664980
2-[(3,4-Dimethoxyphenyl)sulfonylamino]benzamide
CID 778405
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-morpholin-4-ylbenzamide
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2-(4-Methoxy-benzenesulfonylamino)-N-((S)-1-phenyl-propyl)-benzamide
CID 44327937
[4-[[2-(2-Hydroxyethylcarbamoyl)phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate
CID 118727259
2-(2,3-Dihydro-1,4-benzodioxine-6-sulfonamido)benzoic acid
CID 2380119
4-Ethoxy-N-[2-(morpholine-4-carbonyl)-phenyl]-benzenesulfonamide
CID 1090677
N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-4-isobutylsulfamoyl-benzamide
CID 654454
N-(2-furanylmethyl)-2-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 654829
2-[(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-(2-furylmethyl)benzamide
CID 1085650

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-propylbenzamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-propylbenzamide (CID 647880) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-propylbenzamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-propylbenzamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-propylbenzamide is CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-propylbenzamide?
The InChIKey is KLRUGLPHGGDSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-2-9-19-18(21)14-5-3-4-6-15(14)20-26(22,23)13-7-8-16-17(12-13)25-11-10-24-16/h3-8,12,20H,2,9-11H2,1H3,(H,19,21).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-propylbenzamide?
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-propylbenzamide has a molecular weight of 376.43 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-propylbenzamide is sourced from PubChem (CID 647880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).