4-fluoro-1-hept-6-enylindole-3-sulfonyl chloride

C15H17ClFNO2S — CID 107009974

IUPAC4-fluoro-1-hept-6-enylindole-3-sulfonyl chloride
SMILESC=CCCCCCn1cc(S(=O)(=O)Cl)c2c(F)cccc21
InChIInChI=1S/C15H17ClFNO2S/c1-2-3-4-5-6-10-18-11-14(21(16,19)20)15-12(17)8-7-9-13(15)18/h2,7-9,11H,1,3-6,10H2
InChIKeyHAYGINOSZPDIEO-UHFFFAOYSA-N
MW329.82 g/mol
LogP4.45
Rot. Bonds7

About 4-fluoro-1-hept-6-enylindole-3-sulfonyl chloride

4-fluoro-1-hept-6-enylindole-3-sulfonyl chloride (PubChem CID 107009974) has the molecular formula C15H17ClFNO2S and a molecular weight of 329.82 g/mol. Its IUPAC name is 4-fluoro-1-hept-6-enylindole-3-sulfonyl chloride.

Molecular Properties

Compound Name4-fluoro-1-hept-6-enylindole-3-sulfonyl chloride
PubChem CID107009974
Molecular FormulaC15H17ClFNO2S
Molecular Weight329.82 g/mol
Exact Mass329.07
IUPAC Name4-fluoro-1-hept-6-enylindole-3-sulfonyl chloride
SMILESC=CCCCCCn1cc(S(=O)(=O)Cl)c2c(F)cccc21
InChIInChI=1S/C15H17ClFNO2S/c1-2-3-4-5-6-10-18-11-14(21(16,19)20)15-12(17)8-7-9-13(15)18/h2,7-9,11H,1,3-6,10H2
InChIKeyHAYGINOSZPDIEO-UHFFFAOYSA-N
XLogP4.45
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.82
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-hept-6-enylindole-3-sulfonyl chloride?
The IUPAC name of 4-fluoro-1-hept-6-enylindole-3-sulfonyl chloride (CID 107009974) is 4-fluoro-1-hept-6-enylindole-3-sulfonyl chloride.
What is the SMILES notation for 4-fluoro-1-hept-6-enylindole-3-sulfonyl chloride?
The canonical SMILES for 4-fluoro-1-hept-6-enylindole-3-sulfonyl chloride is C=CCCCCCn1cc(S(=O)(=O)Cl)c2c(F)cccc21.
What is the InChIKey of 4-fluoro-1-hept-6-enylindole-3-sulfonyl chloride?
The InChIKey is HAYGINOSZPDIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNO2S/c1-2-3-4-5-6-10-18-11-14(21(16,19)20)15-12(17)8-7-9-13(15)18/h2,7-9,11H,1,3-6,10H2.
What are the key properties of 4-fluoro-1-hept-6-enylindole-3-sulfonyl chloride?
4-fluoro-1-hept-6-enylindole-3-sulfonyl chloride has a molecular weight of 329.82 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-hept-6-enylindole-3-sulfonyl chloride is sourced from PubChem (CID 107009974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).