5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(methylamino)pyridine-3-sulfonamide

C11H13ClN4O2S2 — CID 64602862

IUPAC5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncc(S(=O)(=O)Nc2nc(C)c(C)s2)cc1Cl
InChIInChI=1S/C11H13ClN4O2S2/c1-6-7(2)19-11(15-6)16-20(17,18)8-4-9(12)10(13-3)14-5-8/h4-5H,1-3H3,(H,13,14)(H,15,16)
InChIKeyJSPXYYISXBVKOI-UHFFFAOYSA-N
MW332.84 g/mol
LogP2.65
Rot. Bonds4

About 5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(methylamino)pyridine-3-sulfonamide

5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(methylamino)pyridine-3-sulfonamide (PubChem CID 64602862) has the molecular formula C11H13ClN4O2S2 and a molecular weight of 332.84 g/mol. Its IUPAC name is 5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(methylamino)pyridine-3-sulfonamide
PubChem CID64602862
Molecular FormulaC11H13ClN4O2S2
Molecular Weight332.84 g/mol
Exact Mass332.02
IUPAC Name5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncc(S(=O)(=O)Nc2nc(C)c(C)s2)cc1Cl
InChIInChI=1S/C11H13ClN4O2S2/c1-6-7(2)19-11(15-6)16-20(17,18)8-4-9(12)10(13-3)14-5-8/h4-5H,1-3H3,(H,13,14)(H,15,16)
InChIKeyJSPXYYISXBVKOI-UHFFFAOYSA-N
XLogP2.65
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 4730084
5-chloro-6-(methylamino)-N-pyrimidin-2-ylpyridine-3-sulfonamide
CID 64607730
5-chloro-N-(2,5-dichlorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 64606214
5-chloro-N-(2,3-dimethylphenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 64608516
N-(5-bromo-2-chlorophenyl)-5-chloro-6-(methylamino)pyridine-3-sulfonamide
CID 64601121
5-chloro-N-(3-chloro-2-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 64608883
5-amino-2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61463931
5-chloro-N,N-dimethyl-6-(methylamino)pyridine-3-sulfonamide
CID 64607736
5-chloro-6-(methylamino)-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide
CID 64607176
4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide
CID 60675416
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 62152436
N-(2-bromo-6-fluorophenyl)-5-chloro-6-(methylamino)pyridine-3-sulfonamide
CID 107603183

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(methylamino)pyridine-3-sulfonamide (CID 64602862) is 5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(methylamino)pyridine-3-sulfonamide is CNc1ncc(S(=O)(=O)Nc2nc(C)c(C)s2)cc1Cl.
What is the InChIKey of 5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(methylamino)pyridine-3-sulfonamide?
The InChIKey is JSPXYYISXBVKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2S2/c1-6-7(2)19-11(15-6)16-20(17,18)8-4-9(12)10(13-3)14-5-8/h4-5H,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(methylamino)pyridine-3-sulfonamide?
5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(methylamino)pyridine-3-sulfonamide has a molecular weight of 332.84 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 64602862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).