2-amino-4,6-dichloro-N-ethyl-N-pyridin-4-ylbenzenesulfonamide

C13H13Cl2N3O2S — CID 106934561

IUPAC2-amino-4,6-dichloro-N-ethyl-N-pyridin-4-ylbenzenesulfonamide
SMILESCCN(c1ccncc1)S(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2N3O2S/c1-2-18(10-3-5-17-6-4-10)21(19,20)13-11(15)7-9(14)8-12(13)16/h3-8H,2,16H2,1H3
InChIKeyHABWIUPXDKMJAQ-UHFFFAOYSA-N
MW346.24 g/mol
LogP3.19
Rot. Bonds4

About 2-amino-4,6-dichloro-N-ethyl-N-pyridin-4-ylbenzenesulfonamide

2-amino-4,6-dichloro-N-ethyl-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 106934561) has the molecular formula C13H13Cl2N3O2S and a molecular weight of 346.24 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-ethyl-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-ethyl-N-pyridin-4-ylbenzenesulfonamide
PubChem CID106934561
Molecular FormulaC13H13Cl2N3O2S
Molecular Weight346.24 g/mol
Exact Mass345.01
IUPAC Name2-amino-4,6-dichloro-N-ethyl-N-pyridin-4-ylbenzenesulfonamide
SMILESCCN(c1ccncc1)S(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2N3O2S/c1-2-18(10-3-5-17-6-4-10)21(19,20)13-11(15)7-9(14)8-12(13)16/h3-8H,2,16H2,1H3
InChIKeyHABWIUPXDKMJAQ-UHFFFAOYSA-N
XLogP3.19
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-4,6-dichloro-N-ethyl-N-pyridin-4-ylbenzenesulfonamide 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

4-amino-2,6-dibromo-N-ethyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934536
4-amino-N-ethyl-2,6-difluoro-N-pyridin-4-ylbenzenesulfonamide
CID 106934579
2-amino-N-ethyl-N-pyridin-4-ylpyrimidine-5-sulfonamide
CID 106937084
2-amino-N-butan-2-yl-4,6-dichloro-N-methylbenzenesulfonamide
CID 43272464
2-amino-4,6-dichloro-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 63982210
6-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-sulfonamide
CID 113258214
4-bromo-2,6-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 60639715
2-amino-4,6-dichloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271650
3-amino-5-chloro-2-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934412
3-amino-2-bromo-5-chloro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934484
2-chloro-N-ethyl-4-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide
CID 103768578
2-amino-4,6-dichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64510402

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dichloro-N-ethyl-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-ethyl-N-pyridin-4-ylbenzenesulfonamide (CID 106934561) is 2-amino-4,6-dichloro-N-ethyl-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-ethyl-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-ethyl-N-pyridin-4-ylbenzenesulfonamide is CCN(c1ccncc1)S(=O)(=O)c1c(N)cc(Cl)cc1Cl.
What is the InChIKey of 2-amino-4,6-dichloro-N-ethyl-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is HABWIUPXDKMJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O2S/c1-2-18(10-3-5-17-6-4-10)21(19,20)13-11(15)7-9(14)8-12(13)16/h3-8H,2,16H2,1H3.
What are the key properties of 2-amino-4,6-dichloro-N-ethyl-N-pyridin-4-ylbenzenesulfonamide?
2-amino-4,6-dichloro-N-ethyl-N-pyridin-4-ylbenzenesulfonamide has a molecular weight of 346.24 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dichloro-N-ethyl-N-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 106934561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).