N-(5-chloro-2-pyridinyl)-2-(4-methylphenyl)sulfonylacetamide

C14H13ClN2O3S — CID 1235786

IUPACN-(5-chloro-2-pyridinyl)-2-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C14H13ClN2O3S/c1-10-2-5-12(6-3-10)21(19,20)9-14(18)17-13-7-4-11(15)8-16-13/h2-8H,9H2,1H3,(H,16,17,18)
InChIKeyZIMOBRADKHFCIB-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.46
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-2-(4-methylphenyl)sulfonylacetamide

N-(5-chloro-2-pyridinyl)-2-(4-methylphenyl)sulfonylacetamide (PubChem CID 1235786) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-(4-methylphenyl)sulfonylacetamide
PubChem CID1235786
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC NameN-(5-chloro-2-pyridinyl)-2-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C14H13ClN2O3S/c1-10-2-5-12(6-3-10)21(19,20)9-14(18)17-13-7-4-11(15)8-16-13/h2-8H,9H2,1H3,(H,16,17,18)
InChIKeyZIMOBRADKHFCIB-UHFFFAOYSA-N
XLogP2.46
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-chloro-2-pyridinyl)-2-(4-methylphenyl)sulfonylacetamide 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-(5-chloro-2-pyridinyl)-2-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-(4-methylphenyl)sulfonylacetamide (CID 1235786) is N-(5-chloro-2-pyridinyl)-2-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-(4-methylphenyl)sulfonylacetamide is Cc1ccc(S(=O)(=O)CC(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-(4-methylphenyl)sulfonylacetamide?
The InChIKey is ZIMOBRADKHFCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-10-2-5-12(6-3-10)21(19,20)9-14(18)17-13-7-4-11(15)8-16-13/h2-8H,9H2,1H3,(H,16,17,18).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-(4-methylphenyl)sulfonylacetamide?
N-(5-chloro-2-pyridinyl)-2-(4-methylphenyl)sulfonylacetamide has a molecular weight of 324.79 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-(4-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 1235786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).