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

C17H17FN2O2S — CID 3161290

IUPAC4-fluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESCc1ccc2[nH]cc(CCNS(=O)(=O)c3ccc(F)cc3)c2c1
InChIInChI=1S/C17H17FN2O2S/c1-12-2-7-17-16(10-12)13(11-19-17)8-9-20-23(21,22)15-5-3-14(18)4-6-15/h2-7,10-11,19-20H,8-9H2,1H3
InChIKeyLVZKQMYXDIRMOH-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.14
Rot. Bonds5

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

4-fluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide (PubChem CID 3161290) has the molecular formula C17H17FN2O2S and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-fluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
PubChem CID3161290
Molecular FormulaC17H17FN2O2S
Molecular Weight332.40 g/mol
Exact Mass332.10
IUPAC Name4-fluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESCc1ccc2[nH]cc(CCNS(=O)(=O)c3ccc(F)cc3)c2c1
InChIInChI=1S/C17H17FN2O2S/c1-12-2-7-17-16(10-12)13(11-19-17)8-9-20-23(21,22)15-5-3-14(18)4-6-15/h2-7,10-11,19-20H,8-9H2,1H3
InChIKeyLVZKQMYXDIRMOH-UHFFFAOYSA-N
XLogP3.14
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Sumatriptan
CID 5358
Eletriptan
CID 77993
Almotriptan
CID 123606
Naratriptan
CID 4440
Naratriptan Hydrochloride
CID 60875
Vonoprazan
CID 15981397
Eletriptan Hydrobromide
CID 656631
E 7820
CID 196970
5-Methyltryptamine
CID 15760
GR-159897
CID 9953599
N-[[4-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide
CID 66547073
N-Methyl-3-(((2R)-1-methyl-2-pyrrolidinyl)methyl)-1H-indole-5-methanesulfonamide
CID 132552

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide (CID 3161290) is 4-fluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide is Cc1ccc2[nH]cc(CCNS(=O)(=O)c3ccc(F)cc3)c2c1.
What is the InChIKey of 4-fluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is LVZKQMYXDIRMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2S/c1-12-2-7-17-16(10-12)13(11-19-17)8-9-20-23(21,22)15-5-3-14(18)4-6-15/h2-7,10-11,19-20H,8-9H2,1H3.
What are the key properties of 4-fluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide?
4-fluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 332.40 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 3161290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).