5-amino-N-(2-ethylphenyl)-1H-pyrazole-4-sulfonamide

C11H14N4O2S — CID 54922893

IUPAC5-amino-N-(2-ethylphenyl)-1H-pyrazole-4-sulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C11H14N4O2S/c1-2-8-5-3-4-6-9(8)15-18(16,17)10-7-13-14-11(10)12/h3-7,15H,2H2,1H3,(H3,12,13,14)
InChIKeyHBSNSFIFRYIRNN-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.36
Rot. Bonds4

About 5-amino-N-(2-ethylphenyl)-1H-pyrazole-4-sulfonamide

5-amino-N-(2-ethylphenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 54922893) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 5-amino-N-(2-ethylphenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-ethylphenyl)-1H-pyrazole-4-sulfonamide
PubChem CID54922893
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name5-amino-N-(2-ethylphenyl)-1H-pyrazole-4-sulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C11H14N4O2S/c1-2-8-5-3-4-6-9(8)15-18(16,17)10-7-13-14-11(10)12/h3-7,15H,2H2,1H3,(H3,12,13,14)
InChIKeyHBSNSFIFRYIRNN-UHFFFAOYSA-N
XLogP1.36
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-ethylphenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(2-ethylphenyl)-1H-pyrazole-4-sulfonamide (CID 54922893) is 5-amino-N-(2-ethylphenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(2-ethylphenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(2-ethylphenyl)-1H-pyrazole-4-sulfonamide is CCc1ccccc1NS(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-(2-ethylphenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is HBSNSFIFRYIRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-2-8-5-3-4-6-9(8)15-18(16,17)10-7-13-14-11(10)12/h3-7,15H,2H2,1H3,(H3,12,13,14).
What are the key properties of 5-amino-N-(2-ethylphenyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(2-ethylphenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 266.33 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-ethylphenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54922893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).