5-chloro-N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(ethylamino)benzamide

C15H15Cl2N3O3S — CID 100667348

IUPAC5-chloro-N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(ethylamino)benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)NS(=O)(=O)Cc1ccc(Cl)nc1
InChIInChI=1S/C15H15Cl2N3O3S/c1-2-18-13-5-4-11(16)7-12(13)15(21)20-24(22,23)9-10-3-6-14(17)19-8-10/h3-8,18H,2,9H2,1H3,(H,20,21)
InChIKeyHMFWAZWDJOJJCS-UHFFFAOYSA-N
MW388.28 g/mol
LogP3.08
Rot. Bonds6

About 5-chloro-N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(ethylamino)benzamide

5-chloro-N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(ethylamino)benzamide (PubChem CID 100667348) has the molecular formula C15H15Cl2N3O3S and a molecular weight of 388.28 g/mol. Its IUPAC name is 5-chloro-N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(ethylamino)benzamide.

Molecular Properties

Compound Name5-chloro-N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(ethylamino)benzamide
PubChem CID100667348
Molecular FormulaC15H15Cl2N3O3S
Molecular Weight388.28 g/mol
Exact Mass387.02
IUPAC Name5-chloro-N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(ethylamino)benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)NS(=O)(=O)Cc1ccc(Cl)nc1
InChIInChI=1S/C15H15Cl2N3O3S/c1-2-18-13-5-4-11(16)7-12(13)15(21)20-24(22,23)9-10-3-6-14(17)19-8-10/h3-8,18H,2,9H2,1H3,(H,20,21)
InChIKeyHMFWAZWDJOJJCS-UHFFFAOYSA-N
XLogP3.08
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.28
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-chloro-N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(ethylamino)benzamide 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 5-chloro-N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(ethylamino)benzamide?
The IUPAC name of 5-chloro-N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(ethylamino)benzamide (CID 100667348) is 5-chloro-N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(ethylamino)benzamide.
What is the SMILES notation for 5-chloro-N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(ethylamino)benzamide?
The canonical SMILES for 5-chloro-N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(ethylamino)benzamide is CCNc1ccc(Cl)cc1C(=O)NS(=O)(=O)Cc1ccc(Cl)nc1.
What is the InChIKey of 5-chloro-N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(ethylamino)benzamide?
The InChIKey is HMFWAZWDJOJJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O3S/c1-2-18-13-5-4-11(16)7-12(13)15(21)20-24(22,23)9-10-3-6-14(17)19-8-10/h3-8,18H,2,9H2,1H3,(H,20,21).
What are the key properties of 5-chloro-N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(ethylamino)benzamide?
5-chloro-N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(ethylamino)benzamide has a molecular weight of 388.28 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(ethylamino)benzamide is sourced from PubChem (CID 100667348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).