4-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide

C13H17N3O3S — CID 104620964

IUPAC4-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2[nH]ncc2CC)cc1
InChIInChI=1S/C13H17N3O3S/c1-3-10-9-14-15-13(10)16-20(17,18)12-7-5-11(6-8-12)19-4-2/h5-9H,3-4H2,1-2H3,(H2,14,15,16)
InChIKeyLYUDDBKNXMXXMC-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.17
Rot. Bonds6

About 4-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide

4-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 104620964) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID104620964
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name4-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2[nH]ncc2CC)cc1
InChIInChI=1S/C13H17N3O3S/c1-3-10-9-14-15-13(10)16-20(17,18)12-7-5-11(6-8-12)19-4-2/h5-9H,3-4H2,1-2H3,(H2,14,15,16)
InChIKeyLYUDDBKNXMXXMC-UHFFFAOYSA-N
XLogP2.17
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617220
N-(4-ethyl-1H-pyrazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 104620967
N-(4-ethyl-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide
CID 113433884
4-(2-methoxyethoxy)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 115631121
3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4-hydroxybenzenesulfonamide
CID 104617188
N-(4-ethyl-1H-pyrazol-5-yl)-3-fluorobenzenesulfonamide
CID 104620974
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
N-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide
CID 22202469
N-(4-ethyl-1H-pyrazol-5-yl)-5-fluoropyridine-3-sulfonamide
CID 113433882
N-(5-bromopyrazin-2-yl)-4-ethoxybenzenesulfonamide
CID 115693688
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide (CID 104620964) is 4-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2[nH]ncc2CC)cc1.
What is the InChIKey of 4-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is LYUDDBKNXMXXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-3-10-9-14-15-13(10)16-20(17,18)12-7-5-11(6-8-12)19-4-2/h5-9H,3-4H2,1-2H3,(H2,14,15,16).
What are the key properties of 4-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide?
4-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 104620964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).