4-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

C14H19N3O2S — CID 895190

IUPAC4-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C14H19N3O2S/c1-5-12-6-8-13(9-7-12)20(18,19)16-14-10(2)15-17(4)11(14)3/h6-9,16H,5H2,1-4H3
InChIKeyXZCBWTZGDZIMRV-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.40
Rot. Bonds4

About 4-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

4-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 895190) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID895190
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name4-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C14H19N3O2S/c1-5-12-6-8-13(9-7-12)20(18,19)16-14-10(2)15-17(4)11(14)3/h6-9,16H,5H2,1-4H3
InChIKeyXZCBWTZGDZIMRV-UHFFFAOYSA-N
XLogP2.40
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzene-1-sulfonamide
CID 3862719
Hsp90-IN-27
CID 842058
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)propyl)benzenesulfonamide
CID 6499782
N-[2-(3,5-Dimethyl-pyrazol-1-yl)-propyl]-4-methyl-benzenesulfonamide
CID 6499783
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-3,4-dimethylbenzenesulfonamide
CID 6499785
3,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 8124894
2,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 16377462
N'-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylene]-4-methylbenzenesulfonohydrazide
CID 6874488
US9156811, Ddd86212
CID 58561096
US9156811, Ddd88196
CID 58561193
US9156811, Ddd90023
CID 58561235
US9156811, Ddd99760
CID 58561256

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 895190) is 4-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2c(C)nn(C)c2C)cc1.
What is the InChIKey of 4-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is XZCBWTZGDZIMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-5-12-6-8-13(9-7-12)20(18,19)16-14-10(2)15-17(4)11(14)3/h6-9,16H,5H2,1-4H3.
What are the key properties of 4-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
4-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 895190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).