N-[2-(4-fluorophenyl)sulfonylethyl]-1-methylindole-4-carboxamide

C18H17FN2O3S — CID 77081440

IUPACN-[2-(4-fluorophenyl)sulfonylethyl]-1-methylindole-4-carboxamide
SMILESCn1ccc2c(C(=O)NCCS(=O)(=O)c3ccc(F)cc3)cccc21
InChIInChI=1S/C18H17FN2O3S/c1-21-11-9-15-16(3-2-4-17(15)21)18(22)20-10-12-25(23,24)14-7-5-13(19)6-8-14/h2-9,11H,10,12H2,1H3,(H,20,22)
InChIKeyHCJZWNDNGIMIQA-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.52
Rot. Bonds5

About N-[2-(4-fluorophenyl)sulfonylethyl]-1-methylindole-4-carboxamide

N-[2-(4-fluorophenyl)sulfonylethyl]-1-methylindole-4-carboxamide (PubChem CID 77081440) has the molecular formula C18H17FN2O3S and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)sulfonylethyl]-1-methylindole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)sulfonylethyl]-1-methylindole-4-carboxamide
PubChem CID77081440
Molecular FormulaC18H17FN2O3S
Molecular Weight360.41 g/mol
Exact Mass360.09
IUPAC NameN-[2-(4-fluorophenyl)sulfonylethyl]-1-methylindole-4-carboxamide
SMILESCn1ccc2c(C(=O)NCCS(=O)(=O)c3ccc(F)cc3)cccc21
InChIInChI=1S/C18H17FN2O3S/c1-21-11-9-15-16(3-2-4-17(15)21)18(22)20-10-12-25(23,24)14-7-5-13(19)6-8-14/h2-9,11H,10,12H2,1H3,(H,20,22)
InChIKeyHCJZWNDNGIMIQA-UHFFFAOYSA-N
XLogP2.52
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-fluorophenyl)sulfonylethyl]-1-methylindole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)sulfonylethyl]-1-methylindole-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)sulfonylethyl]-1-methylindole-4-carboxamide (CID 77081440) is N-[2-(4-fluorophenyl)sulfonylethyl]-1-methylindole-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)sulfonylethyl]-1-methylindole-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)sulfonylethyl]-1-methylindole-4-carboxamide is Cn1ccc2c(C(=O)NCCS(=O)(=O)c3ccc(F)cc3)cccc21.
What is the InChIKey of N-[2-(4-fluorophenyl)sulfonylethyl]-1-methylindole-4-carboxamide?
The InChIKey is HCJZWNDNGIMIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S/c1-21-11-9-15-16(3-2-4-17(15)21)18(22)20-10-12-25(23,24)14-7-5-13(19)6-8-14/h2-9,11H,10,12H2,1H3,(H,20,22).
What are the key properties of N-[2-(4-fluorophenyl)sulfonylethyl]-1-methylindole-4-carboxamide?
N-[2-(4-fluorophenyl)sulfonylethyl]-1-methylindole-4-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)sulfonylethyl]-1-methylindole-4-carboxamide is sourced from PubChem (CID 77081440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).