2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4,5-dimethylbenzenesulfonamide

C13H18N4O2S — CID 104617260

IUPAC2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4,5-dimethylbenzenesulfonamide
SMILESCCc1cn[nH]c1NS(=O)(=O)c1cc(C)c(C)cc1N
InChIInChI=1S/C13H18N4O2S/c1-4-10-7-15-16-13(10)17-20(18,19)12-6-9(3)8(2)5-11(12)14/h5-7H,4,14H2,1-3H3,(H2,15,16,17)
InChIKeyIBKVNQIKRXATIU-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.97
Rot. Bonds4

About 2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4,5-dimethylbenzenesulfonamide

2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4,5-dimethylbenzenesulfonamide (PubChem CID 104617260) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4,5-dimethylbenzenesulfonamide
PubChem CID104617260
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4,5-dimethylbenzenesulfonamide
SMILESCCc1cn[nH]c1NS(=O)(=O)c1cc(C)c(C)cc1N
InChIInChI=1S/C13H18N4O2S/c1-4-10-7-15-16-13(10)17-20(18,19)12-6-9(3)8(2)5-11(12)14/h5-7H,4,14H2,1-3H3,(H2,15,16,17)
InChIKeyIBKVNQIKRXATIU-UHFFFAOYSA-N
XLogP1.97
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4,5-dimethylbenzenesulfonamide (CID 104617260) is 2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4,5-dimethylbenzenesulfonamide is CCc1cn[nH]c1NS(=O)(=O)c1cc(C)c(C)cc1N.
What is the InChIKey of 2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4,5-dimethylbenzenesulfonamide?
The InChIKey is IBKVNQIKRXATIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-4-10-7-15-16-13(10)17-20(18,19)12-6-9(3)8(2)5-11(12)14/h5-7H,4,14H2,1-3H3,(H2,15,16,17).
What are the key properties of 2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4,5-dimethylbenzenesulfonamide?
2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4,5-dimethylbenzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 104617260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).