5,6-dichloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide

C11H11Cl2N3O2S2 — CID 110301352

IUPAC5,6-dichloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide
SMILESCc1nc(CCNS(=O)(=O)c2cnc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C11H11Cl2N3O2S2/c1-7-16-8(6-19-7)2-3-15-20(17,18)9-4-10(12)11(13)14-5-9/h4-6,15H,2-3H2,1H3
InChIKeyCRQHKQMYXUXIJF-UHFFFAOYSA-N
MW352.27 g/mol
LogP2.67
Rot. Bonds5

About 5,6-dichloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide

5,6-dichloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 110301352) has the molecular formula C11H11Cl2N3O2S2 and a molecular weight of 352.27 g/mol. Its IUPAC name is 5,6-dichloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide
PubChem CID110301352
Molecular FormulaC11H11Cl2N3O2S2
Molecular Weight352.27 g/mol
Exact Mass350.97
IUPAC Name5,6-dichloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide
SMILESCc1nc(CCNS(=O)(=O)c2cnc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C11H11Cl2N3O2S2/c1-7-16-8(6-19-7)2-3-15-20(17,18)9-4-10(12)11(13)14-5-9/h4-6,15H,2-3H2,1H3
InChIKeyCRQHKQMYXUXIJF-UHFFFAOYSA-N
XLogP2.67
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-sulfonamide
CID 106049680
4-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 51125777
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalene-2-sulfonamide
CID 18554591
5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64624786
2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide
CID 61284804
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 103861343
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-chloro-4-methylbenzenesulfonamide
CID 110717932
3-amino-5-chloro-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106034093
5-amino-2,3-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106034183
N-tert-butyl-3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propanamide
CID 115641375
5,6-dichloro-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide
CID 115641390
N-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]phenyl]acetamide
CID 3243012

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide (CID 110301352) is 5,6-dichloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide is Cc1nc(CCNS(=O)(=O)c2cnc(Cl)c(Cl)c2)cs1.
What is the InChIKey of 5,6-dichloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide?
The InChIKey is CRQHKQMYXUXIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O2S2/c1-7-16-8(6-19-7)2-3-15-20(17,18)9-4-10(12)11(13)14-5-9/h4-6,15H,2-3H2,1H3.
What are the key properties of 5,6-dichloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide?
5,6-dichloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide has a molecular weight of 352.27 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 110301352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).