N-(4-acetyl-1,3-thiazol-2-yl)-6-chloropyridine-3-sulfonamide

C10H8ClN3O3S2 — CID 62997780

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-6-chloropyridine-3-sulfonamide
SMILESCC(=O)c1csc(NS(=O)(=O)c2ccc(Cl)nc2)n1
InChIInChI=1S/C10H8ClN3O3S2/c1-6(15)8-5-18-10(13-8)14-19(16,17)7-2-3-9(11)12-4-7/h2-5H,1H3,(H,13,14)
InChIKeyPWQQZOQTKYFELB-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.19
Rot. Bonds4

About N-(4-acetyl-1,3-thiazol-2-yl)-6-chloropyridine-3-sulfonamide

N-(4-acetyl-1,3-thiazol-2-yl)-6-chloropyridine-3-sulfonamide (PubChem CID 62997780) has the molecular formula C10H8ClN3O3S2 and a molecular weight of 317.78 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-6-chloropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-6-chloropyridine-3-sulfonamide
PubChem CID62997780
Molecular FormulaC10H8ClN3O3S2
Molecular Weight317.78 g/mol
Exact Mass316.97
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-6-chloropyridine-3-sulfonamide
SMILESCC(=O)c1csc(NS(=O)(=O)c2ccc(Cl)nc2)n1
InChIInChI=1S/C10H8ClN3O3S2/c1-6(15)8-5-18-10(13-8)14-19(16,17)7-2-3-9(11)12-4-7/h2-5H,1H3,(H,13,14)
InChIKeyPWQQZOQTKYFELB-UHFFFAOYSA-N
XLogP2.19
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 62998514
N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-4-bromobenzenesulfonamide
CID 115329454
N-(2-acetylphenyl)-6-chloropyridine-3-sulfonamide
CID 2683694
N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-5-fluorobenzenesulfonamide
CID 64557052
1-[2-(propan-2-ylsulfamoylamino)-1,3-thiazol-4-yl]ethanone
CID 114808715
N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-4,5-dimethylbenzenesulfonamide
CID 64555855
N-(4-acetyl-1,3-thiazol-2-yl)-2,5-difluorobenzenesulfonamide
CID 62998699
2-[(4-tert-butylphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 28858371
N-(4-acetyl-1,3-thiazol-2-yl)-2,5-dibromobenzenesulfonamide
CID 63000153
2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide
CID 27664723
1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethanone
CID 114815388
6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 99837871

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-6-chloropyridine-3-sulfonamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-6-chloropyridine-3-sulfonamide (CID 62997780) is N-(4-acetyl-1,3-thiazol-2-yl)-6-chloropyridine-3-sulfonamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-6-chloropyridine-3-sulfonamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-6-chloropyridine-3-sulfonamide is CC(=O)c1csc(NS(=O)(=O)c2ccc(Cl)nc2)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-6-chloropyridine-3-sulfonamide?
The InChIKey is PWQQZOQTKYFELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O3S2/c1-6(15)8-5-18-10(13-8)14-19(16,17)7-2-3-9(11)12-4-7/h2-5H,1H3,(H,13,14).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-6-chloropyridine-3-sulfonamide?
N-(4-acetyl-1,3-thiazol-2-yl)-6-chloropyridine-3-sulfonamide has a molecular weight of 317.78 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-6-chloropyridine-3-sulfonamide is sourced from PubChem (CID 62997780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).