N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(2-fluorophenyl)sulfanylacetamide

C19H20ClFN2O3S2 — CID 4819055

IUPACN-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(2-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccccc1F)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C19H20ClFN2O3S2/c20-15-9-8-14(28(25,26)23-10-4-1-5-11-23)12-17(15)22-19(24)13-27-18-7-3-2-6-16(18)21/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,22,24)
InChIKeyJHKCZGGKKWNJLU-UHFFFAOYSA-N
MW442.97 g/mol
LogP4.38
Rot. Bonds6

About N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(2-fluorophenyl)sulfanylacetamide

N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(2-fluorophenyl)sulfanylacetamide (PubChem CID 4819055) has the molecular formula C19H20ClFN2O3S2 and a molecular weight of 442.97 g/mol. Its IUPAC name is N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(2-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(2-fluorophenyl)sulfanylacetamide
PubChem CID4819055
Molecular FormulaC19H20ClFN2O3S2
Molecular Weight442.97 g/mol
Exact Mass442.06
IUPAC NameN-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(2-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccccc1F)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C19H20ClFN2O3S2/c20-15-9-8-14(28(25,26)23-10-4-1-5-11-23)12-17(15)22-19(24)13-27-18-7-3-2-6-16(18)21/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,22,24)
InChIKeyJHKCZGGKKWNJLU-UHFFFAOYSA-N
XLogP4.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.97
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(2-fluorophenyl)sulfanylacetamide 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-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(2-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(2-fluorophenyl)sulfanylacetamide (CID 4819055) is N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(2-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(2-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(2-fluorophenyl)sulfanylacetamide is O=C(CSc1ccccc1F)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(2-fluorophenyl)sulfanylacetamide?
The InChIKey is JHKCZGGKKWNJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O3S2/c20-15-9-8-14(28(25,26)23-10-4-1-5-11-23)12-17(15)22-19(24)13-27-18-7-3-2-6-16(18)21/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,22,24).
What are the key properties of N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(2-fluorophenyl)sulfanylacetamide?
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(2-fluorophenyl)sulfanylacetamide has a molecular weight of 442.97 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(2-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 4819055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).