1-(cyclooctanecarbonyl)-2,3-dihydroindole-6-sulfonamide

C17H24N2O3S — CID 75422244

IUPAC1-(cyclooctanecarbonyl)-2,3-dihydroindole-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)N(C(=O)C1CCCCCCC1)CC2
InChIInChI=1S/C17H24N2O3S/c18-23(21,22)15-9-8-13-10-11-19(16(13)12-15)17(20)14-6-4-2-1-3-5-7-14/h8-9,12,14H,1-7,10-11H2,(H2,18,21,22)
InChIKeySXFZGCUPIWVFCO-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.58
Rot. Bonds2

About 1-(cyclooctanecarbonyl)-2,3-dihydroindole-6-sulfonamide

1-(cyclooctanecarbonyl)-2,3-dihydroindole-6-sulfonamide (PubChem CID 75422244) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 1-(cyclooctanecarbonyl)-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-(cyclooctanecarbonyl)-2,3-dihydroindole-6-sulfonamide
PubChem CID75422244
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name1-(cyclooctanecarbonyl)-2,3-dihydroindole-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)N(C(=O)C1CCCCCCC1)CC2
InChIInChI=1S/C17H24N2O3S/c18-23(21,22)15-9-8-13-10-11-19(16(13)12-15)17(20)14-6-4-2-1-3-5-7-14/h8-9,12,14H,1-7,10-11H2,(H2,18,21,22)
InChIKeySXFZGCUPIWVFCO-UHFFFAOYSA-N
XLogP2.58
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonyl chloride
CID 54594046
2-(cyclohexanecarbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110294055
1-(5-pyrimidin-2-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide
CID 174219961
4-[6-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673855
1-(5-pyridin-3-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide
CID 174219886
1-[(2R)-5-(2-fluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
CID 170335913
1-(5-naphthalen-1-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide
CID 174219905
1-[5-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
CID 170393488
1-[(1S,3S)-3-aminocyclopentanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide
CID 124689464
1-[5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
CID 170593393
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclobutylmethanone
CID 55055284
1-hexa-2,4-dienoyl-2,3-dihydroindole-6-sulfonamide
CID 154748876

Frequently Asked Questions

What is the IUPAC name of 1-(cyclooctanecarbonyl)-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-(cyclooctanecarbonyl)-2,3-dihydroindole-6-sulfonamide (CID 75422244) is 1-(cyclooctanecarbonyl)-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-(cyclooctanecarbonyl)-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-(cyclooctanecarbonyl)-2,3-dihydroindole-6-sulfonamide is NS(=O)(=O)c1ccc2c(c1)N(C(=O)C1CCCCCCC1)CC2.
What is the InChIKey of 1-(cyclooctanecarbonyl)-2,3-dihydroindole-6-sulfonamide?
The InChIKey is SXFZGCUPIWVFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c18-23(21,22)15-9-8-13-10-11-19(16(13)12-15)17(20)14-6-4-2-1-3-5-7-14/h8-9,12,14H,1-7,10-11H2,(H2,18,21,22).
What are the key properties of 1-(cyclooctanecarbonyl)-2,3-dihydroindole-6-sulfonamide?
1-(cyclooctanecarbonyl)-2,3-dihydroindole-6-sulfonamide has a molecular weight of 336.46 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclooctanecarbonyl)-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 75422244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).