4-[(2-chloro-3-pyridinyl)sulfonylamino]-N,N-dimethylbenzamide

C14H14ClN3O3S — CID 24650939

IUPAC4-[(2-chloro-3-pyridinyl)sulfonylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NS(=O)(=O)c2cccnc2Cl)cc1
InChIInChI=1S/C14H14ClN3O3S/c1-18(2)14(19)10-5-7-11(8-6-10)17-22(20,21)12-4-3-9-16-13(12)15/h3-9,17H,1-2H3
InChIKeyVOXFRPDZWXIFRE-UHFFFAOYSA-N
MW339.80 g/mol
LogP2.24
Rot. Bonds4

About 4-[(2-chloro-3-pyridinyl)sulfonylamino]-N,N-dimethylbenzamide

4-[(2-chloro-3-pyridinyl)sulfonylamino]-N,N-dimethylbenzamide (PubChem CID 24650939) has the molecular formula C14H14ClN3O3S and a molecular weight of 339.80 g/mol. Its IUPAC name is 4-[(2-chloro-3-pyridinyl)sulfonylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[(2-chloro-3-pyridinyl)sulfonylamino]-N,N-dimethylbenzamide
PubChem CID24650939
Molecular FormulaC14H14ClN3O3S
Molecular Weight339.80 g/mol
Exact Mass339.04
IUPAC Name4-[(2-chloro-3-pyridinyl)sulfonylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NS(=O)(=O)c2cccnc2Cl)cc1
InChIInChI=1S/C14H14ClN3O3S/c1-18(2)14(19)10-5-7-11(8-6-10)17-22(20,21)12-4-3-9-16-13(12)15/h3-9,17H,1-2H3
InChIKeyVOXFRPDZWXIFRE-UHFFFAOYSA-N
XLogP2.24
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[(2-chloro-3-pyridinyl)sulfonylamino]-N,N-dimethylbenzamide 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 4-[(2-chloro-3-pyridinyl)sulfonylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[(2-chloro-3-pyridinyl)sulfonylamino]-N,N-dimethylbenzamide (CID 24650939) is 4-[(2-chloro-3-pyridinyl)sulfonylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[(2-chloro-3-pyridinyl)sulfonylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[(2-chloro-3-pyridinyl)sulfonylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NS(=O)(=O)c2cccnc2Cl)cc1.
What is the InChIKey of 4-[(2-chloro-3-pyridinyl)sulfonylamino]-N,N-dimethylbenzamide?
The InChIKey is VOXFRPDZWXIFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3S/c1-18(2)14(19)10-5-7-11(8-6-10)17-22(20,21)12-4-3-9-16-13(12)15/h3-9,17H,1-2H3.
What are the key properties of 4-[(2-chloro-3-pyridinyl)sulfonylamino]-N,N-dimethylbenzamide?
4-[(2-chloro-3-pyridinyl)sulfonylamino]-N,N-dimethylbenzamide has a molecular weight of 339.80 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-3-pyridinyl)sulfonylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 24650939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).