N-[[2-(4-chloroanilino)-3-pyridinyl]sulfonyl]acetamide

C13H12ClN3O3S — CID 902012

IUPACN-[[2-(4-chloroanilino)-3-pyridinyl]sulfonyl]acetamide
SMILESCC(=O)NS(=O)(=O)c1cccnc1Nc1ccc(Cl)cc1
InChIInChI=1S/C13H12ClN3O3S/c1-9(18)17-21(19,20)12-3-2-8-15-13(12)16-11-6-4-10(14)5-7-11/h2-8H,1H3,(H,15,16)(H,17,18)
InChIKeyILXQIIKTWWXIPM-UHFFFAOYSA-N
MW325.78 g/mol
LogP2.30
Rot. Bonds4

About N-[[2-(4-chloroanilino)-3-pyridinyl]sulfonyl]acetamide

N-[[2-(4-chloroanilino)-3-pyridinyl]sulfonyl]acetamide (PubChem CID 902012) has the molecular formula C13H12ClN3O3S and a molecular weight of 325.78 g/mol. Its IUPAC name is N-[[2-(4-chloroanilino)-3-pyridinyl]sulfonyl]acetamide.

Molecular Properties

Compound NameN-[[2-(4-chloroanilino)-3-pyridinyl]sulfonyl]acetamide
PubChem CID902012
Molecular FormulaC13H12ClN3O3S
Molecular Weight325.78 g/mol
Exact Mass325.03
IUPAC NameN-[[2-(4-chloroanilino)-3-pyridinyl]sulfonyl]acetamide
SMILESCC(=O)NS(=O)(=O)c1cccnc1Nc1ccc(Cl)cc1
InChIInChI=1S/C13H12ClN3O3S/c1-9(18)17-21(19,20)12-3-2-8-15-13(12)16-11-6-4-10(14)5-7-11/h2-8H,1H3,(H,15,16)(H,17,18)
InChIKeyILXQIIKTWWXIPM-UHFFFAOYSA-N
XLogP2.30
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.78
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[2-(4-chloroanilino)-3-pyridinyl]sulfonyl]acetamide 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-(4-chloroanilino)-3-pyridinyl]sulfonyl]acetamide?
The IUPAC name of N-[[2-(4-chloroanilino)-3-pyridinyl]sulfonyl]acetamide (CID 902012) is N-[[2-(4-chloroanilino)-3-pyridinyl]sulfonyl]acetamide.
What is the SMILES notation for N-[[2-(4-chloroanilino)-3-pyridinyl]sulfonyl]acetamide?
The canonical SMILES for N-[[2-(4-chloroanilino)-3-pyridinyl]sulfonyl]acetamide is CC(=O)NS(=O)(=O)c1cccnc1Nc1ccc(Cl)cc1.
What is the InChIKey of N-[[2-(4-chloroanilino)-3-pyridinyl]sulfonyl]acetamide?
The InChIKey is ILXQIIKTWWXIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3S/c1-9(18)17-21(19,20)12-3-2-8-15-13(12)16-11-6-4-10(14)5-7-11/h2-8H,1H3,(H,15,16)(H,17,18).
What are the key properties of N-[[2-(4-chloroanilino)-3-pyridinyl]sulfonyl]acetamide?
N-[[2-(4-chloroanilino)-3-pyridinyl]sulfonyl]acetamide has a molecular weight of 325.78 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-chloroanilino)-3-pyridinyl]sulfonyl]acetamide is sourced from PubChem (CID 902012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).