N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C20H20N2O5S — CID 42388536

IUPACN-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=C(C1CC1)N1CCc2cc(NS(=O)(=O)c3ccc4c(c3)OCCO4)ccc21
InChIInChI=1S/C20H20N2O5S/c23-20(13-1-2-13)22-8-7-14-11-15(3-5-17(14)22)21-28(24,25)16-4-6-18-19(12-16)27-10-9-26-18/h3-6,11-13,21H,1-2,7-10H2
InChIKeyXELDEAJWPLSNKG-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.56
Rot. Bonds4

About N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 42388536) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID42388536
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC NameN-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=C(C1CC1)N1CCc2cc(NS(=O)(=O)c3ccc4c(c3)OCCO4)ccc21
InChIInChI=1S/C20H20N2O5S/c23-20(13-1-2-13)22-8-7-14-11-15(3-5-17(14)22)21-28(24,25)16-4-6-18-19(12-16)27-10-9-26-18/h3-6,11-13,21H,1-2,7-10H2
InChIKeyXELDEAJWPLSNKG-UHFFFAOYSA-N
XLogP2.56
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide with MolForge

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Related Compounds

1-(cyclopropanecarbonyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 133231165
1-(cyclopropanecarbonyl)-N-(3,4-dimethoxyphenyl)-2,3-dihydroindole-5-sulfonamide
CID 15990690
N-(3-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 20853215
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N-propyl-2,3-dihydroindole-1-carboxamide
CID 53059032
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)-2,3-dihydroindole-5-sulfonamide
CID 6621715
N-(4-bromophenyl)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 20853260
1-(cyclopropanecarbonyl)-N-dibenzofuran-3-yl-2,3-dihydroindole-5-sulfonamide
CID 100554084
N-[4-(cyclopropanecarbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110604226
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-methylbenzenesulfonamide
CID 7498808
6-chloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-sulfonamide
CID 110303737
1-(cyclobutanecarbonyl)-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 20853270
N-(1-methyl-2,3-dihydroindol-5-yl)-1,3-benzodioxole-5-sulfonamide
CID 110729382

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 42388536) is N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=C(C1CC1)N1CCc2cc(NS(=O)(=O)c3ccc4c(c3)OCCO4)ccc21.
What is the InChIKey of N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is XELDEAJWPLSNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S/c23-20(13-1-2-13)22-8-7-14-11-15(3-5-17(14)22)21-28(24,25)16-4-6-18-19(12-16)27-10-9-26-18/h3-6,11-13,21H,1-2,7-10H2.
What are the key properties of N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 400.46 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-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 42388536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).