3-amino-4-ethyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide

C12H16N4O2S — CID 55259826

IUPAC3-amino-4-ethyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cc(C)[nH]n2)cc1N
InChIInChI=1S/C12H16N4O2S/c1-3-9-4-5-10(7-11(9)13)19(17,18)16-12-6-8(2)14-15-12/h4-7H,3,13H2,1-2H3,(H2,14,15,16)
InChIKeyCPVIYKYZSGRIRR-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.66
Rot. Bonds4

About 3-amino-4-ethyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide

3-amino-4-ethyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide (PubChem CID 55259826) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-amino-4-ethyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-ethyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
PubChem CID55259826
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name3-amino-4-ethyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cc(C)[nH]n2)cc1N
InChIInChI=1S/C12H16N4O2S/c1-3-9-4-5-10(7-11(9)13)19(17,18)16-12-6-8(2)14-15-12/h4-7H,3,13H2,1-2H3,(H2,14,15,16)
InChIKeyCPVIYKYZSGRIRR-UHFFFAOYSA-N
XLogP1.66
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.66
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 3-amino-4-ethyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-amino-4-ethyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide (CID 55259826) is 3-amino-4-ethyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-ethyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-ethyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2cc(C)[nH]n2)cc1N.
What is the InChIKey of 3-amino-4-ethyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The InChIKey is CPVIYKYZSGRIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-3-9-4-5-10(7-11(9)13)19(17,18)16-12-6-8(2)14-15-12/h4-7H,3,13H2,1-2H3,(H2,14,15,16).
What are the key properties of 3-amino-4-ethyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
3-amino-4-ethyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 55259826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).