4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-propan-2-ylbutan-1-amine

C15H23FN2O2S — CID 103504260

IUPAC4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCCCS(=O)(=O)N1CCc2ccc(F)cc21
InChIInChI=1S/C15H23FN2O2S/c1-12(2)17-8-3-4-10-21(19,20)18-9-7-13-5-6-14(16)11-15(13)18/h5-6,11-12,17H,3-4,7-10H2,1-2H3
InChIKeyCQKCJAOGJBTNAY-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.30
Rot. Bonds7

About 4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-propan-2-ylbutan-1-amine

4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-propan-2-ylbutan-1-amine (PubChem CID 103504260) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-propan-2-ylbutan-1-amine
PubChem CID103504260
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCCCS(=O)(=O)N1CCc2ccc(F)cc21
InChIInChI=1S/C15H23FN2O2S/c1-12(2)17-8-3-4-10-21(19,20)18-9-7-13-5-6-14(16)11-15(13)18/h5-6,11-12,17H,3-4,7-10H2,1-2H3
InChIKeyCQKCJAOGJBTNAY-UHFFFAOYSA-N
XLogP2.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-propan-2-ylbutan-1-amine (CID 103504260) is 4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-propan-2-ylbutan-1-amine is CC(C)NCCCCS(=O)(=O)N1CCc2ccc(F)cc21.
What is the InChIKey of 4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-propan-2-ylbutan-1-amine?
The InChIKey is CQKCJAOGJBTNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-12(2)17-8-3-4-10-21(19,20)18-9-7-13-5-6-14(16)11-15(13)18/h5-6,11-12,17H,3-4,7-10H2,1-2H3.
What are the key properties of 4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-propan-2-ylbutan-1-amine?
4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-propan-2-ylbutan-1-amine has a molecular weight of 314.43 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 103504260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).