1-[6-(propylsulfamoylamino)-2,3-dihydroindol-1-yl]ethanone

C13H19N3O3S — CID 110627257

IUPAC1-[6-(propylsulfamoylamino)-2,3-dihydroindol-1-yl]ethanone
SMILESCCCNS(=O)(=O)Nc1ccc2c(c1)N(C(C)=O)CC2
InChIInChI=1S/C13H19N3O3S/c1-3-7-14-20(18,19)15-12-5-4-11-6-8-16(10(2)17)13(11)9-12/h4-5,9,14-15H,3,6-8H2,1-2H3
InChIKeyDJFYIZQVFWWMMZ-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.25
Rot. Bonds5

About 1-[6-(propylsulfamoylamino)-2,3-dihydroindol-1-yl]ethanone

1-[6-(propylsulfamoylamino)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 110627257) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-[6-(propylsulfamoylamino)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-(propylsulfamoylamino)-2,3-dihydroindol-1-yl]ethanone
PubChem CID110627257
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name1-[6-(propylsulfamoylamino)-2,3-dihydroindol-1-yl]ethanone
SMILESCCCNS(=O)(=O)Nc1ccc2c(c1)N(C(C)=O)CC2
InChIInChI=1S/C13H19N3O3S/c1-3-7-14-20(18,19)15-12-5-4-11-6-8-16(10(2)17)13(11)9-12/h4-5,9,14-15H,3,6-8H2,1-2H3
InChIKeyDJFYIZQVFWWMMZ-UHFFFAOYSA-N
XLogP1.25
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[6-(propylsulfamoylamino)-2,3-dihydroindol-1-yl]ethanone with MolForge

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-6-yl)-2-methoxyethanesulfonamide
CID 110307285
methyl N-[4-[(1-acetyl-2,3-dihydroindol-6-yl)sulfamoyl]phenyl]carbamate
CID 91624470
1-acetyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-6-sulfonamide
CID 126776307
1-methylsulfonyl-N-(propylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine
CID 110623286
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-butyloxamide
CID 7586301
1-[6-[(4-chlorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 67223454
1-acetyl-N-(2-piperazin-1-ylethyl)-2,3-dihydroindole-6-sulfonamide;dihydrochloride
CID 119966651
N-(1-acetyl-2,3-dihydroindol-6-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110288193
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzenesulfonamide
CID 7517556
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-propoxybenzenesulfonamide
CID 42388579
1-acetyl-2,3-dihydroindole-6-carboxylic acid
CID 82609550
2-[(1-acetyl-2,3-dihydroindol-6-yl)hydrazinylidene]propanedinitrile
CID 169337871

Frequently Asked Questions

What is the IUPAC name of 1-[6-(propylsulfamoylamino)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[6-(propylsulfamoylamino)-2,3-dihydroindol-1-yl]ethanone (CID 110627257) is 1-[6-(propylsulfamoylamino)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[6-(propylsulfamoylamino)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[6-(propylsulfamoylamino)-2,3-dihydroindol-1-yl]ethanone is CCCNS(=O)(=O)Nc1ccc2c(c1)N(C(C)=O)CC2.
What is the InChIKey of 1-[6-(propylsulfamoylamino)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is DJFYIZQVFWWMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-3-7-14-20(18,19)15-12-5-4-11-6-8-16(10(2)17)13(11)9-12/h4-5,9,14-15H,3,6-8H2,1-2H3.
What are the key properties of 1-[6-(propylsulfamoylamino)-2,3-dihydroindol-1-yl]ethanone?
1-[6-(propylsulfamoylamino)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 297.38 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(propylsulfamoylamino)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 110627257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).