1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonyl chloride

C12H12ClNO3S — CID 54594046

IUPAC1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonyl chloride
SMILESO=C(C1CC1)N1CCc2ccc(S(=O)(=O)Cl)cc21
InChIInChI=1S/C12H12ClNO3S/c13-18(16,17)10-4-3-8-5-6-14(11(8)7-10)12(15)9-1-2-9/h3-4,7,9H,1-2,5-6H2
InChIKeyBRALMLGAKSIYOS-UHFFFAOYSA-N
MW285.75 g/mol
LogP1.91
Rot. Bonds2

About 1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonyl chloride

1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonyl chloride (PubChem CID 54594046) has the molecular formula C12H12ClNO3S and a molecular weight of 285.75 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonyl chloride.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonyl chloride
PubChem CID54594046
Molecular FormulaC12H12ClNO3S
Molecular Weight285.75 g/mol
Exact Mass285.02
IUPAC Name1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonyl chloride
SMILESO=C(C1CC1)N1CCc2ccc(S(=O)(=O)Cl)cc21
InChIInChI=1S/C12H12ClNO3S/c13-18(16,17)10-4-3-8-5-6-14(11(8)7-10)12(15)9-1-2-9/h3-4,7,9H,1-2,5-6H2
InChIKeyBRALMLGAKSIYOS-UHFFFAOYSA-N
XLogP1.91
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclooctanecarbonyl)-2,3-dihydroindole-6-sulfonamide
CID 75422244
4-[6-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673855
1-[(1S,3S)-3-aminocyclopentanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide
CID 124689464
1-(3-aminocyclopentanecarbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119802266
1-(2-methylpropanoyl)-3,4-dihydro-2H-quinoline-7-sulfonyl chloride
CID 54594044
N-methyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 120635833
[5-(4-aminopiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
CID 71079564
[(1R,3R)-3-aminocyclopentyl]-(6-chloro-2,3-dihydroindol-1-yl)methanone
CID 124699729
cyclopropyl-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,3-dihydroindol-1-yl]methanone
CID 3244754
(4-aminocyclohexyl)-[6-(dimethylamino)-2,3-dihydroindol-1-yl]methanone
CID 22591393
tert-butyl 7-chlorosulfonyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 131556812
[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 37161953

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonyl chloride?
The IUPAC name of 1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonyl chloride (CID 54594046) is 1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonyl chloride.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonyl chloride?
The canonical SMILES for 1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonyl chloride is O=C(C1CC1)N1CCc2ccc(S(=O)(=O)Cl)cc21.
What is the InChIKey of 1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonyl chloride?
The InChIKey is BRALMLGAKSIYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3S/c13-18(16,17)10-4-3-8-5-6-14(11(8)7-10)12(15)9-1-2-9/h3-4,7,9H,1-2,5-6H2.
What are the key properties of 1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonyl chloride?
1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonyl chloride has a molecular weight of 285.75 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonyl chloride is sourced from PubChem (CID 54594046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).