N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide

C19H20N2O5S — CID 3240508

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21
InChIInChI=1S/C19H20N2O5S/c1-2-19(22)21-8-7-13-11-15(4-5-16(13)21)27(23,24)20-14-3-6-17-18(12-14)26-10-9-25-17/h3-6,11-12,20H,2,7-10H2,1H3
InChIKeyQAZFXYYWNOADND-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.56
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 3240508) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide
PubChem CID3240508
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21
InChIInChI=1S/C19H20N2O5S/c1-2-19(22)21-8-7-13-11-15(4-5-16(13)21)27(23,24)20-14-3-6-17-18(12-14)26-10-9-25-17/h3-6,11-12,20H,2,7-10H2,1H3
InChIKeyQAZFXYYWNOADND-UHFFFAOYSA-N
XLogP2.56
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide (CID 3240508) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide is CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is QAZFXYYWNOADND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-2-19(22)21-8-7-13-11-15(4-5-16(13)21)27(23,24)20-14-3-6-17-18(12-14)26-10-9-25-17/h3-6,11-12,20H,2,7-10H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 388.45 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 3240508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).