5-chloro-6-(ethylamino)-N-methyl-N-pyridin-2-ylpyridine-3-sulfonamide

C13H15ClN4O2S — CID 64606979

IUPAC5-chloro-6-(ethylamino)-N-methyl-N-pyridin-2-ylpyridine-3-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)N(C)c2ccccn2)cc1Cl
InChIInChI=1S/C13H15ClN4O2S/c1-3-15-13-11(14)8-10(9-17-13)21(19,20)18(2)12-6-4-5-7-16-12/h4-9H,3H2,1-2H3,(H,15,17)
InChIKeyLOXLIPKZKPMZDP-UHFFFAOYSA-N
MW326.81 g/mol
LogP2.39
Rot. Bonds5

About 5-chloro-6-(ethylamino)-N-methyl-N-pyridin-2-ylpyridine-3-sulfonamide

5-chloro-6-(ethylamino)-N-methyl-N-pyridin-2-ylpyridine-3-sulfonamide (PubChem CID 64606979) has the molecular formula C13H15ClN4O2S and a molecular weight of 326.81 g/mol. Its IUPAC name is 5-chloro-6-(ethylamino)-N-methyl-N-pyridin-2-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-(ethylamino)-N-methyl-N-pyridin-2-ylpyridine-3-sulfonamide
PubChem CID64606979
Molecular FormulaC13H15ClN4O2S
Molecular Weight326.81 g/mol
Exact Mass326.06
IUPAC Name5-chloro-6-(ethylamino)-N-methyl-N-pyridin-2-ylpyridine-3-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)N(C)c2ccccn2)cc1Cl
InChIInChI=1S/C13H15ClN4O2S/c1-3-15-13-11(14)8-10(9-17-13)21(19,20)18(2)12-6-4-5-7-16-12/h4-9H,3H2,1-2H3,(H,15,17)
InChIKeyLOXLIPKZKPMZDP-UHFFFAOYSA-N
XLogP2.39
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(ethylamino)-N-methyl-N-pyridin-2-ylpyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-(ethylamino)-N-methyl-N-pyridin-2-ylpyridine-3-sulfonamide (CID 64606979) is 5-chloro-6-(ethylamino)-N-methyl-N-pyridin-2-ylpyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-(ethylamino)-N-methyl-N-pyridin-2-ylpyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-(ethylamino)-N-methyl-N-pyridin-2-ylpyridine-3-sulfonamide is CCNc1ncc(S(=O)(=O)N(C)c2ccccn2)cc1Cl.
What is the InChIKey of 5-chloro-6-(ethylamino)-N-methyl-N-pyridin-2-ylpyridine-3-sulfonamide?
The InChIKey is LOXLIPKZKPMZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2S/c1-3-15-13-11(14)8-10(9-17-13)21(19,20)18(2)12-6-4-5-7-16-12/h4-9H,3H2,1-2H3,(H,15,17).
What are the key properties of 5-chloro-6-(ethylamino)-N-methyl-N-pyridin-2-ylpyridine-3-sulfonamide?
5-chloro-6-(ethylamino)-N-methyl-N-pyridin-2-ylpyridine-3-sulfonamide has a molecular weight of 326.81 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(ethylamino)-N-methyl-N-pyridin-2-ylpyridine-3-sulfonamide is sourced from PubChem (CID 64606979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).