2-(4-chloro-3-methylphenoxy)-N-pyridin-3-ylsulfonylacetamide

C14H13ClN2O4S — CID 95301732

IUPAC2-(4-chloro-3-methylphenoxy)-N-pyridin-3-ylsulfonylacetamide
SMILESCc1cc(OCC(=O)NS(=O)(=O)c2cccnc2)ccc1Cl
InChIInChI=1S/C14H13ClN2O4S/c1-10-7-11(4-5-13(10)15)21-9-14(18)17-22(19,20)12-3-2-6-16-8-12/h2-8H,9H2,1H3,(H,17,18)
InChIKeyIWDZOOAWCVEYPM-UHFFFAOYSA-N
MW340.79 g/mol
LogP1.93
Rot. Bonds5

About 2-(4-chloro-3-methylphenoxy)-N-pyridin-3-ylsulfonylacetamide

2-(4-chloro-3-methylphenoxy)-N-pyridin-3-ylsulfonylacetamide (PubChem CID 95301732) has the molecular formula C14H13ClN2O4S and a molecular weight of 340.79 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-pyridin-3-ylsulfonylacetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-pyridin-3-ylsulfonylacetamide
PubChem CID95301732
Molecular FormulaC14H13ClN2O4S
Molecular Weight340.79 g/mol
Exact Mass340.03
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-pyridin-3-ylsulfonylacetamide
SMILESCc1cc(OCC(=O)NS(=O)(=O)c2cccnc2)ccc1Cl
InChIInChI=1S/C14H13ClN2O4S/c1-10-7-11(4-5-13(10)15)21-9-14(18)17-22(19,20)12-3-2-6-16-8-12/h2-8H,9H2,1H3,(H,17,18)
InChIKeyIWDZOOAWCVEYPM-UHFFFAOYSA-N
XLogP1.93
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chloro-3-methylphenoxy)-N-pyridin-3-ylsulfonylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-methoxyphenoxy)-N-pyridin-3-ylsulfonylacetamide
CID 75415184
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
2-(4-chloro-3-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 1183039
2-(4-chloro-3-methylphenoxy)-N-(3-hydroxy-2-pyridinyl)acetamide
CID 18109443
2-(4-chloro-3-methylphenoxy)-N-pyridin-2-ylacetamide
CID 883765
2-(4-chloro-3-methylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 18076736
(2R)-2-(3-methyl-4-propan-2-ylphenoxy)-N-pyridin-3-ylsulfonylpropanamide
CID 94189479
2-(4-chloro-3-methylphenoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]acetamide
CID 2987150
2-(4-chloro-3-methylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 4924502
2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide
CID 17233325
N-(5-bromo-2-pyridinyl)-2-(4-chloro-3-methylphenoxy)acetamide
CID 1224606
benzyl N-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]carbamate
CID 4935779

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-pyridin-3-ylsulfonylacetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-pyridin-3-ylsulfonylacetamide (CID 95301732) is 2-(4-chloro-3-methylphenoxy)-N-pyridin-3-ylsulfonylacetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-pyridin-3-ylsulfonylacetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-pyridin-3-ylsulfonylacetamide is Cc1cc(OCC(=O)NS(=O)(=O)c2cccnc2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-pyridin-3-ylsulfonylacetamide?
The InChIKey is IWDZOOAWCVEYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4S/c1-10-7-11(4-5-13(10)15)21-9-14(18)17-22(19,20)12-3-2-6-16-8-12/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-pyridin-3-ylsulfonylacetamide?
2-(4-chloro-3-methylphenoxy)-N-pyridin-3-ylsulfonylacetamide has a molecular weight of 340.79 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-pyridin-3-ylsulfonylacetamide is sourced from PubChem (CID 95301732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).