N-cyclopropyl-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanesulfonamide

C18H19F2NO2S — CID 166242216

IUPACN-cyclopropyl-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanesulfonamide
SMILESO=S(=O)(CCc1ccc(F)cc1)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C18H19F2NO2S/c19-16-5-1-14(2-6-16)11-12-24(22,23)21(18-9-10-18)13-15-3-7-17(20)8-4-15/h1-8,18H,9-13H2
InChIKeyRRVAXEZDBGCFSQ-UHFFFAOYSA-N
MW351.42 g/mol
LogP3.50
Rot. Bonds7

About N-cyclopropyl-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanesulfonamide

N-cyclopropyl-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanesulfonamide (PubChem CID 166242216) has the molecular formula C18H19F2NO2S and a molecular weight of 351.42 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanesulfonamide
PubChem CID166242216
Molecular FormulaC18H19F2NO2S
Molecular Weight351.42 g/mol
Exact Mass351.11
IUPAC NameN-cyclopropyl-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanesulfonamide
SMILESO=S(=O)(CCc1ccc(F)cc1)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C18H19F2NO2S/c19-16-5-1-14(2-6-16)11-12-24(22,23)21(18-9-10-18)13-15-3-7-17(20)8-4-15/h1-8,18H,9-13H2
InChIKeyRRVAXEZDBGCFSQ-UHFFFAOYSA-N
XLogP3.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-cyclopropyl-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanesulfonamide 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-cyclopropyl-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanesulfonamide?
The IUPAC name of N-cyclopropyl-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanesulfonamide (CID 166242216) is N-cyclopropyl-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanesulfonamide.
What is the SMILES notation for N-cyclopropyl-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanesulfonamide?
The canonical SMILES for N-cyclopropyl-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanesulfonamide is O=S(=O)(CCc1ccc(F)cc1)N(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanesulfonamide?
The InChIKey is RRVAXEZDBGCFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO2S/c19-16-5-1-14(2-6-16)11-12-24(22,23)21(18-9-10-18)13-15-3-7-17(20)8-4-15/h1-8,18H,9-13H2.
What are the key properties of N-cyclopropyl-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanesulfonamide?
N-cyclopropyl-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanesulfonamide has a molecular weight of 351.42 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanesulfonamide is sourced from PubChem (CID 166242216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).