N-(1-methyl-2,3-dihydroindol-5-yl)-1,3-benzodioxole-5-sulfonamide

C16H16N2O4S — CID 110729382

IUPACN-(1-methyl-2,3-dihydroindol-5-yl)-1,3-benzodioxole-5-sulfonamide
SMILESCN1CCc2cc(NS(=O)(=O)c3ccc4c(c3)OCO4)ccc21
InChIInChI=1S/C16H16N2O4S/c1-18-7-6-11-8-12(2-4-14(11)18)17-23(19,20)13-3-5-15-16(9-13)22-10-21-15/h2-5,8-9,17H,6-7,10H2,1H3
InChIKeyCSIUBQCTHJZCTQ-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.21
Rot. Bonds3

About N-(1-methyl-2,3-dihydroindol-5-yl)-1,3-benzodioxole-5-sulfonamide

N-(1-methyl-2,3-dihydroindol-5-yl)-1,3-benzodioxole-5-sulfonamide (PubChem CID 110729382) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is N-(1-methyl-2,3-dihydroindol-5-yl)-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-methyl-2,3-dihydroindol-5-yl)-1,3-benzodioxole-5-sulfonamide
PubChem CID110729382
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC NameN-(1-methyl-2,3-dihydroindol-5-yl)-1,3-benzodioxole-5-sulfonamide
SMILESCN1CCc2cc(NS(=O)(=O)c3ccc4c(c3)OCO4)ccc21
InChIInChI=1S/C16H16N2O4S/c1-18-7-6-11-8-12(2-4-14(11)18)17-23(19,20)13-3-5-15-16(9-13)22-10-21-15/h2-5,8-9,17H,6-7,10H2,1H3
InChIKeyCSIUBQCTHJZCTQ-UHFFFAOYSA-N
XLogP2.21
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-sulfonamide
CID 112981618
3-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)benzenesulfonamide
CID 110729389
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-benzodioxole-5-sulfonamide
CID 110776722
N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 4827704
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42388536
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110639743
N-(1,3-benzodioxol-5-yl)-9-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-6-sulfonamide
CID 16766286
5-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)thiophene-2-sulfonamide
CID 110729387
4-methoxy-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 110729178
N-(1,3-benzodioxol-5-yl)-3,4-dimethoxybenzenesulfonamide
CID 768991
2-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)benzenesulfonamide
CID 110729408
N-(1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide
CID 718546

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2,3-dihydroindol-5-yl)-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-(1-methyl-2,3-dihydroindol-5-yl)-1,3-benzodioxole-5-sulfonamide (CID 110729382) is N-(1-methyl-2,3-dihydroindol-5-yl)-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-(1-methyl-2,3-dihydroindol-5-yl)-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-(1-methyl-2,3-dihydroindol-5-yl)-1,3-benzodioxole-5-sulfonamide is CN1CCc2cc(NS(=O)(=O)c3ccc4c(c3)OCO4)ccc21.
What is the InChIKey of N-(1-methyl-2,3-dihydroindol-5-yl)-1,3-benzodioxole-5-sulfonamide?
The InChIKey is CSIUBQCTHJZCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-18-7-6-11-8-12(2-4-14(11)18)17-23(19,20)13-3-5-15-16(9-13)22-10-21-15/h2-5,8-9,17H,6-7,10H2,1H3.
What are the key properties of N-(1-methyl-2,3-dihydroindol-5-yl)-1,3-benzodioxole-5-sulfonamide?
N-(1-methyl-2,3-dihydroindol-5-yl)-1,3-benzodioxole-5-sulfonamide has a molecular weight of 332.38 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2,3-dihydroindol-5-yl)-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 110729382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).