4-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide

C17H17FN2O3S — CID 3161291

IUPAC4-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc2[nH]cc(CCNS(=O)(=O)c3ccc(F)cc3)c2c1
InChIInChI=1S/C17H17FN2O3S/c1-23-14-4-7-17-16(10-14)12(11-19-17)8-9-20-24(21,22)15-5-2-13(18)3-6-15/h2-7,10-11,19-20H,8-9H2,1H3
InChIKeySJFMSTFXWKSFEQ-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.84
Rot. Bonds6

About 4-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide

4-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide (PubChem CID 3161291) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide
PubChem CID3161291
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name4-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc2[nH]cc(CCNS(=O)(=O)c3ccc(F)cc3)c2c1
InChIInChI=1S/C17H17FN2O3S/c1-23-14-4-7-17-16(10-14)12(11-19-17)8-9-20-24(21,22)15-5-2-13(18)3-6-15/h2-7,10-11,19-20H,8-9H2,1H3
InChIKeySJFMSTFXWKSFEQ-UHFFFAOYSA-N
XLogP2.84
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide (CID 3161291) is 4-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide is COc1ccc2[nH]cc(CCNS(=O)(=O)c3ccc(F)cc3)c2c1.
What is the InChIKey of 4-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is SJFMSTFXWKSFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c1-23-14-4-7-17-16(10-14)12(11-19-17)8-9-20-24(21,22)15-5-2-13(18)3-6-15/h2-7,10-11,19-20H,8-9H2,1H3.
What are the key properties of 4-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide?
4-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 348.40 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 3161291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).