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

C17H18N2O6S2 — CID 1250293

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylsulfonyl-2,3-dihydroindole-5-sulfonamide
SMILESCS(=O)(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21
InChIInChI=1S/C17H18N2O6S2/c1-26(20,21)19-7-6-12-10-14(3-4-15(12)19)27(22,23)18-13-2-5-16-17(11-13)25-9-8-24-16/h2-5,10-11,18H,6-9H2,1H3
InChIKeyLJSWWGGROVVFSW-UHFFFAOYSA-N
MW410.47 g/mol
LogP1.58
Rot. Bonds4

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylsulfonyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 1250293) has the molecular formula C17H18N2O6S2 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylsulfonyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylsulfonyl-2,3-dihydroindole-5-sulfonamide
PubChem CID1250293
Molecular FormulaC17H18N2O6S2
Molecular Weight410.47 g/mol
Exact Mass410.06
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylsulfonyl-2,3-dihydroindole-5-sulfonamide
SMILESCS(=O)(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21
InChIInChI=1S/C17H18N2O6S2/c1-26(20,21)19-7-6-12-10-14(3-4-15(12)19)27(22,23)18-13-2-5-16-17(11-13)25-9-8-24-16/h2-5,10-11,18H,6-9H2,1H3
InChIKeyLJSWWGGROVVFSW-UHFFFAOYSA-N
XLogP1.58
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylsulfonyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylsulfonyl-2,3-dihydroindole-5-sulfonamide (CID 1250293) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylsulfonyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylsulfonyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylsulfonyl-2,3-dihydroindole-5-sulfonamide is CS(=O)(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylsulfonyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is LJSWWGGROVVFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6S2/c1-26(20,21)19-7-6-12-10-14(3-4-15(12)19)27(22,23)18-13-2-5-16-17(11-13)25-9-8-24-16/h2-5,10-11,18H,6-9H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylsulfonyl-2,3-dihydroindole-5-sulfonamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylsulfonyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 410.47 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylsulfonyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 1250293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).