N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]prop-2-ene-1-sulfonamide

C14H17FN2O2S — CID 91956047

IUPACN-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NCCc1c(C)[nH]c2ccc(F)cc12
InChIInChI=1S/C14H17FN2O2S/c1-3-8-20(18,19)16-7-6-12-10(2)17-14-5-4-11(15)9-13(12)14/h3-5,9,16-17H,1,6-8H2,2H3
InChIKeyFNDPIDANNLPSDW-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.26
Rot. Bonds6

About N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]prop-2-ene-1-sulfonamide

N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]prop-2-ene-1-sulfonamide (PubChem CID 91956047) has the molecular formula C14H17FN2O2S and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]prop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]prop-2-ene-1-sulfonamide
PubChem CID91956047
Molecular FormulaC14H17FN2O2S
Molecular Weight296.37 g/mol
Exact Mass296.10
IUPAC NameN-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NCCc1c(C)[nH]c2ccc(F)cc12
InChIInChI=1S/C14H17FN2O2S/c1-3-8-20(18,19)16-7-6-12-10(2)17-14-5-4-11(15)9-13(12)14/h3-5,9,16-17H,1,6-8H2,2H3
InChIKeyFNDPIDANNLPSDW-UHFFFAOYSA-N
XLogP2.26
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]prop-2-ene-1-sulfonamide?
The IUPAC name of N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]prop-2-ene-1-sulfonamide (CID 91956047) is N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]prop-2-ene-1-sulfonamide.
What is the SMILES notation for N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]prop-2-ene-1-sulfonamide?
The canonical SMILES for N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]prop-2-ene-1-sulfonamide is C=CCS(=O)(=O)NCCc1c(C)[nH]c2ccc(F)cc12.
What is the InChIKey of N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]prop-2-ene-1-sulfonamide?
The InChIKey is FNDPIDANNLPSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S/c1-3-8-20(18,19)16-7-6-12-10(2)17-14-5-4-11(15)9-13(12)14/h3-5,9,16-17H,1,6-8H2,2H3.
What are the key properties of N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]prop-2-ene-1-sulfonamide?
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]prop-2-ene-1-sulfonamide has a molecular weight of 296.37 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]prop-2-ene-1-sulfonamide is sourced from PubChem (CID 91956047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).