1-(2-fluoroethyl)-4-propoxyindole-3-sulfonyl chloride

C13H15ClFNO3S — CID 83162758

IUPAC1-(2-fluoroethyl)-4-propoxyindole-3-sulfonyl chloride
SMILESCCCOc1cccc2c1c(S(=O)(=O)Cl)cn2CCF
InChIInChI=1S/C13H15ClFNO3S/c1-2-8-19-11-5-3-4-10-13(11)12(20(14,17)18)9-16(10)7-6-15/h3-5,9H,2,6-8H2,1H3
InChIKeyKPKOEGVCCQKLLD-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.33
Rot. Bonds6

About 1-(2-fluoroethyl)-4-propoxyindole-3-sulfonyl chloride

1-(2-fluoroethyl)-4-propoxyindole-3-sulfonyl chloride (PubChem CID 83162758) has the molecular formula C13H15ClFNO3S and a molecular weight of 319.79 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-propoxyindole-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-propoxyindole-3-sulfonyl chloride
PubChem CID83162758
Molecular FormulaC13H15ClFNO3S
Molecular Weight319.79 g/mol
Exact Mass319.04
IUPAC Name1-(2-fluoroethyl)-4-propoxyindole-3-sulfonyl chloride
SMILESCCCOc1cccc2c1c(S(=O)(=O)Cl)cn2CCF
InChIInChI=1S/C13H15ClFNO3S/c1-2-8-19-11-5-3-4-10-13(11)12(20(14,17)18)9-16(10)7-6-15/h3-5,9H,2,6-8H2,1H3
InChIKeyKPKOEGVCCQKLLD-UHFFFAOYSA-N
XLogP3.33
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-propoxyindole-3-sulfonyl chloride?
The IUPAC name of 1-(2-fluoroethyl)-4-propoxyindole-3-sulfonyl chloride (CID 83162758) is 1-(2-fluoroethyl)-4-propoxyindole-3-sulfonyl chloride.
What is the SMILES notation for 1-(2-fluoroethyl)-4-propoxyindole-3-sulfonyl chloride?
The canonical SMILES for 1-(2-fluoroethyl)-4-propoxyindole-3-sulfonyl chloride is CCCOc1cccc2c1c(S(=O)(=O)Cl)cn2CCF.
What is the InChIKey of 1-(2-fluoroethyl)-4-propoxyindole-3-sulfonyl chloride?
The InChIKey is KPKOEGVCCQKLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO3S/c1-2-8-19-11-5-3-4-10-13(11)12(20(14,17)18)9-16(10)7-6-15/h3-5,9H,2,6-8H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-4-propoxyindole-3-sulfonyl chloride?
1-(2-fluoroethyl)-4-propoxyindole-3-sulfonyl chloride has a molecular weight of 319.79 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-propoxyindole-3-sulfonyl chloride is sourced from PubChem (CID 83162758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).