5,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide

C11H11Cl2N3O2S2 — CID 115681420

IUPAC5,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
SMILESCc1cnc(C(C)NS(=O)(=O)c2cnc(Cl)c(Cl)c2)s1
InChIInChI=1S/C11H11Cl2N3O2S2/c1-6-4-15-11(19-6)7(2)16-20(17,18)8-3-9(12)10(13)14-5-8/h3-5,7,16H,1-2H3
InChIKeySIYSQOACPHETMS-UHFFFAOYSA-N
MW352.27 g/mol
LogP3.19
Rot. Bonds4

About 5,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide

5,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 115681420) has the molecular formula C11H11Cl2N3O2S2 and a molecular weight of 352.27 g/mol. Its IUPAC name is 5,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
PubChem CID115681420
Molecular FormulaC11H11Cl2N3O2S2
Molecular Weight352.27 g/mol
Exact Mass350.97
IUPAC Name5,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
SMILESCc1cnc(C(C)NS(=O)(=O)c2cnc(Cl)c(Cl)c2)s1
InChIInChI=1S/C11H11Cl2N3O2S2/c1-6-4-15-11(19-6)7(2)16-20(17,18)8-3-9(12)10(13)14-5-8/h3-5,7,16H,1-2H3
InChIKeySIYSQOACPHETMS-UHFFFAOYSA-N
XLogP3.19
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide 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

5,6-dichloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-sulfonamide
CID 64607266
3-chloro-4-(hydroxymethyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 107090869
5,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide
CID 64607227
3-amino-5-fluoro-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 116792150
N-but-3-en-2-yl-5,6-dichloropyridine-3-sulfonamide
CID 115692267
4-acetyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 115681422
5,6-dichloro-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 64608562
5,6-dichloro-N-(1,1-dimethoxypropan-2-yl)pyridine-3-sulfonamide
CID 64608618
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanesulfonamide
CID 115681436
5,6-dichloro-N-(1-cyclohexylethyl)pyridine-3-sulfonamide
CID 64608609
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 113251866
5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64624786

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide (CID 115681420) is 5,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide is Cc1cnc(C(C)NS(=O)(=O)c2cnc(Cl)c(Cl)c2)s1.
What is the InChIKey of 5,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide?
The InChIKey is SIYSQOACPHETMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O2S2/c1-6-4-15-11(19-6)7(2)16-20(17,18)8-3-9(12)10(13)14-5-8/h3-5,7,16H,1-2H3.
What are the key properties of 5,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide?
5,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide has a molecular weight of 352.27 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 115681420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).