N-ethyl-N-(5-hydroxy-2-methylphenyl)-1-methylpyrazole-4-sulfonamide

C13H17N3O3S — CID 62062287

IUPACN-ethyl-N-(5-hydroxy-2-methylphenyl)-1-methylpyrazole-4-sulfonamide
SMILESCCN(c1cc(O)ccc1C)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C13H17N3O3S/c1-4-16(13-7-11(17)6-5-10(13)2)20(18,19)12-8-14-15(3)9-12/h5-9,17H,4H2,1-3H3
InChIKeyMMESIPUPBWQGTA-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.65
Rot. Bonds4

About N-ethyl-N-(5-hydroxy-2-methylphenyl)-1-methylpyrazole-4-sulfonamide

N-ethyl-N-(5-hydroxy-2-methylphenyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 62062287) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-ethyl-N-(5-hydroxy-2-methylphenyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(5-hydroxy-2-methylphenyl)-1-methylpyrazole-4-sulfonamide
PubChem CID62062287
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-ethyl-N-(5-hydroxy-2-methylphenyl)-1-methylpyrazole-4-sulfonamide
SMILESCCN(c1cc(O)ccc1C)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C13H17N3O3S/c1-4-16(13-7-11(17)6-5-10(13)2)20(18,19)12-8-14-15(3)9-12/h5-9,17H,4H2,1-3H3
InChIKeyMMESIPUPBWQGTA-UHFFFAOYSA-N
XLogP1.65
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(5-hydroxy-2-methylphenyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-ethyl-N-(5-hydroxy-2-methylphenyl)-1-methylpyrazole-4-sulfonamide (CID 62062287) is N-ethyl-N-(5-hydroxy-2-methylphenyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-ethyl-N-(5-hydroxy-2-methylphenyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-ethyl-N-(5-hydroxy-2-methylphenyl)-1-methylpyrazole-4-sulfonamide is CCN(c1cc(O)ccc1C)S(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N-ethyl-N-(5-hydroxy-2-methylphenyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is MMESIPUPBWQGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-4-16(13-7-11(17)6-5-10(13)2)20(18,19)12-8-14-15(3)9-12/h5-9,17H,4H2,1-3H3.
What are the key properties of N-ethyl-N-(5-hydroxy-2-methylphenyl)-1-methylpyrazole-4-sulfonamide?
N-ethyl-N-(5-hydroxy-2-methylphenyl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(5-hydroxy-2-methylphenyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 62062287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).