4-fluoro-1-pentylindole-3-sulfonamide

C13H17FN2O2S — CID 82793460

IUPAC4-fluoro-1-pentylindole-3-sulfonamide
SMILESCCCCCn1cc(S(N)(=O)=O)c2c(F)cccc21
InChIInChI=1S/C13H17FN2O2S/c1-2-3-4-8-16-9-12(19(15,17)18)13-10(14)6-5-7-11(13)16/h5-7,9H,2-4,8H2,1H3,(H2,15,17,18)
InChIKeyYNTJAELWUCYMEI-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.62
Rot. Bonds5

About 4-fluoro-1-pentylindole-3-sulfonamide

4-fluoro-1-pentylindole-3-sulfonamide (PubChem CID 82793460) has the molecular formula C13H17FN2O2S and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-fluoro-1-pentylindole-3-sulfonamide.

Molecular Properties

Compound Name4-fluoro-1-pentylindole-3-sulfonamide
PubChem CID82793460
Molecular FormulaC13H17FN2O2S
Molecular Weight284.36 g/mol
Exact Mass284.10
IUPAC Name4-fluoro-1-pentylindole-3-sulfonamide
SMILESCCCCCn1cc(S(N)(=O)=O)c2c(F)cccc21
InChIInChI=1S/C13H17FN2O2S/c1-2-3-4-8-16-9-12(19(15,17)18)13-10(14)6-5-7-11(13)16/h5-7,9H,2-4,8H2,1H3,(H2,15,17,18)
InChIKeyYNTJAELWUCYMEI-UHFFFAOYSA-N
XLogP2.62
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.62
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-fluoro-1-pentylindole-3-sulfonamide?
The IUPAC name of 4-fluoro-1-pentylindole-3-sulfonamide (CID 82793460) is 4-fluoro-1-pentylindole-3-sulfonamide.
What is the SMILES notation for 4-fluoro-1-pentylindole-3-sulfonamide?
The canonical SMILES for 4-fluoro-1-pentylindole-3-sulfonamide is CCCCCn1cc(S(N)(=O)=O)c2c(F)cccc21.
What is the InChIKey of 4-fluoro-1-pentylindole-3-sulfonamide?
The InChIKey is YNTJAELWUCYMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2S/c1-2-3-4-8-16-9-12(19(15,17)18)13-10(14)6-5-7-11(13)16/h5-7,9H,2-4,8H2,1H3,(H2,15,17,18).
What are the key properties of 4-fluoro-1-pentylindole-3-sulfonamide?
4-fluoro-1-pentylindole-3-sulfonamide has a molecular weight of 284.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-pentylindole-3-sulfonamide is sourced from PubChem (CID 82793460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).