5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-6-(methylamino)pyridine-3-sulfonamide

C12H16ClN5O2S — CID 107464615

IUPAC5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-6-(methylamino)pyridine-3-sulfonamide
SMILESCCc1nn(C)cc1NS(=O)(=O)c1cnc(NC)c(Cl)c1
InChIInChI=1S/C12H16ClN5O2S/c1-4-10-11(7-18(3)16-10)17-21(19,20)8-5-9(13)12(14-2)15-6-8/h5-7,17H,4H2,1-3H3,(H,14,15)
InChIKeyLJFVQNQKXIBZRH-UHFFFAOYSA-N
MW329.81 g/mol
LogP1.87
Rot. Bonds5

About 5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-6-(methylamino)pyridine-3-sulfonamide

5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-6-(methylamino)pyridine-3-sulfonamide (PubChem CID 107464615) has the molecular formula C12H16ClN5O2S and a molecular weight of 329.81 g/mol. Its IUPAC name is 5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-6-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-6-(methylamino)pyridine-3-sulfonamide
PubChem CID107464615
Molecular FormulaC12H16ClN5O2S
Molecular Weight329.81 g/mol
Exact Mass329.07
IUPAC Name5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-6-(methylamino)pyridine-3-sulfonamide
SMILESCCc1nn(C)cc1NS(=O)(=O)c1cnc(NC)c(Cl)c1
InChIInChI=1S/C12H16ClN5O2S/c1-4-10-11(7-18(3)16-10)17-21(19,20)8-5-9(13)12(14-2)15-6-8/h5-7,17H,4H2,1-3H3,(H,14,15)
InChIKeyLJFVQNQKXIBZRH-UHFFFAOYSA-N
XLogP1.87
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-6-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-6-(methylamino)pyridine-3-sulfonamide (CID 107464615) is 5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-6-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-6-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-6-(methylamino)pyridine-3-sulfonamide is CCc1nn(C)cc1NS(=O)(=O)c1cnc(NC)c(Cl)c1.
What is the InChIKey of 5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-6-(methylamino)pyridine-3-sulfonamide?
The InChIKey is LJFVQNQKXIBZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O2S/c1-4-10-11(7-18(3)16-10)17-21(19,20)8-5-9(13)12(14-2)15-6-8/h5-7,17H,4H2,1-3H3,(H,14,15).
What are the key properties of 5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-6-(methylamino)pyridine-3-sulfonamide?
5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-6-(methylamino)pyridine-3-sulfonamide has a molecular weight of 329.81 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-6-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 107464615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).