N-(2-cyclopropyl-3-pyridinyl)-2-(3-fluorophenyl)ethanesulfonamide

C16H17FN2O2S — CID 154780577

IUPACN-(2-cyclopropyl-3-pyridinyl)-2-(3-fluorophenyl)ethanesulfonamide
SMILESO=S(=O)(CCc1cccc(F)c1)Nc1cccnc1C1CC1
InChIInChI=1S/C16H17FN2O2S/c17-14-4-1-3-12(11-14)8-10-22(20,21)19-15-5-2-9-18-16(15)13-6-7-13/h1-5,9,11,13,19H,6-8,10H2
InChIKeyWEOYEVDXGZWAGO-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.08
Rot. Bonds6

About N-(2-cyclopropyl-3-pyridinyl)-2-(3-fluorophenyl)ethanesulfonamide

N-(2-cyclopropyl-3-pyridinyl)-2-(3-fluorophenyl)ethanesulfonamide (PubChem CID 154780577) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is N-(2-cyclopropyl-3-pyridinyl)-2-(3-fluorophenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-3-pyridinyl)-2-(3-fluorophenyl)ethanesulfonamide
PubChem CID154780577
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC NameN-(2-cyclopropyl-3-pyridinyl)-2-(3-fluorophenyl)ethanesulfonamide
SMILESO=S(=O)(CCc1cccc(F)c1)Nc1cccnc1C1CC1
InChIInChI=1S/C16H17FN2O2S/c17-14-4-1-3-12(11-14)8-10-22(20,21)19-15-5-2-9-18-16(15)13-6-7-13/h1-5,9,11,13,19H,6-8,10H2
InChIKeyWEOYEVDXGZWAGO-UHFFFAOYSA-N
XLogP3.08
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-cyclopropyl-3-pyridinyl)-2-(3-fluorophenyl)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-(2-cyclopropyl-3-pyridinyl)-2-(3-fluorophenyl)ethanesulfonamide?
The IUPAC name of N-(2-cyclopropyl-3-pyridinyl)-2-(3-fluorophenyl)ethanesulfonamide (CID 154780577) is N-(2-cyclopropyl-3-pyridinyl)-2-(3-fluorophenyl)ethanesulfonamide.
What is the SMILES notation for N-(2-cyclopropyl-3-pyridinyl)-2-(3-fluorophenyl)ethanesulfonamide?
The canonical SMILES for N-(2-cyclopropyl-3-pyridinyl)-2-(3-fluorophenyl)ethanesulfonamide is O=S(=O)(CCc1cccc(F)c1)Nc1cccnc1C1CC1.
What is the InChIKey of N-(2-cyclopropyl-3-pyridinyl)-2-(3-fluorophenyl)ethanesulfonamide?
The InChIKey is WEOYEVDXGZWAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c17-14-4-1-3-12(11-14)8-10-22(20,21)19-15-5-2-9-18-16(15)13-6-7-13/h1-5,9,11,13,19H,6-8,10H2.
What are the key properties of N-(2-cyclopropyl-3-pyridinyl)-2-(3-fluorophenyl)ethanesulfonamide?
N-(2-cyclopropyl-3-pyridinyl)-2-(3-fluorophenyl)ethanesulfonamide has a molecular weight of 320.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-3-pyridinyl)-2-(3-fluorophenyl)ethanesulfonamide is sourced from PubChem (CID 154780577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).