N-(2,5-dimethylpyrazol-3-yl)-6-(ethylamino)pyridine-3-sulfonamide

C12H17N5O2S — CID 62145254

IUPACN-(2,5-dimethylpyrazol-3-yl)-6-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1ccc(S(=O)(=O)Nc2cc(C)nn2C)cn1
InChIInChI=1S/C12H17N5O2S/c1-4-13-11-6-5-10(8-14-11)20(18,19)16-12-7-9(2)15-17(12)3/h5-8,16H,4H2,1-3H3,(H,13,14)
InChIKeyMRNZRNMDJKELAZ-UHFFFAOYSA-N
MW295.37 g/mol
LogP1.36
Rot. Bonds5

About N-(2,5-dimethylpyrazol-3-yl)-6-(ethylamino)pyridine-3-sulfonamide

N-(2,5-dimethylpyrazol-3-yl)-6-(ethylamino)pyridine-3-sulfonamide (PubChem CID 62145254) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-6-(ethylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-6-(ethylamino)pyridine-3-sulfonamide
PubChem CID62145254
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-6-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1ccc(S(=O)(=O)Nc2cc(C)nn2C)cn1
InChIInChI=1S/C12H17N5O2S/c1-4-13-11-6-5-10(8-14-11)20(18,19)16-12-7-9(2)15-17(12)3/h5-8,16H,4H2,1-3H3,(H,13,14)
InChIKeyMRNZRNMDJKELAZ-UHFFFAOYSA-N
XLogP1.36
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-6-(ethylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-6-(ethylamino)pyridine-3-sulfonamide (CID 62145254) is N-(2,5-dimethylpyrazol-3-yl)-6-(ethylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-6-(ethylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-6-(ethylamino)pyridine-3-sulfonamide is CCNc1ccc(S(=O)(=O)Nc2cc(C)nn2C)cn1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-6-(ethylamino)pyridine-3-sulfonamide?
The InChIKey is MRNZRNMDJKELAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-4-13-11-6-5-10(8-14-11)20(18,19)16-12-7-9(2)15-17(12)3/h5-8,16H,4H2,1-3H3,(H,13,14).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-6-(ethylamino)pyridine-3-sulfonamide?
N-(2,5-dimethylpyrazol-3-yl)-6-(ethylamino)pyridine-3-sulfonamide has a molecular weight of 295.37 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-6-(ethylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62145254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).