5-(4-ethylphenyl)-1H-pyrazole-4-sulfonamide

C11H13N3O2S — CID 61395345

IUPAC5-(4-ethylphenyl)-1H-pyrazole-4-sulfonamide
SMILESCCc1ccc(-c2[nH]ncc2S(N)(=O)=O)cc1
InChIInChI=1S/C11H13N3O2S/c1-2-8-3-5-9(6-4-8)11-10(7-13-14-11)17(12,15)16/h3-7H,2H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyPTOBLJMWPQYSKQ-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.29
Rot. Bonds3

About 5-(4-ethylphenyl)-1H-pyrazole-4-sulfonamide

5-(4-ethylphenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 61395345) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-(4-ethylphenyl)-1H-pyrazole-4-sulfonamide
PubChem CID61395345
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name5-(4-ethylphenyl)-1H-pyrazole-4-sulfonamide
SMILESCCc1ccc(-c2[nH]ncc2S(N)(=O)=O)cc1
InChIInChI=1S/C11H13N3O2S/c1-2-8-3-5-9(6-4-8)11-10(7-13-14-11)17(12,15)16/h3-7H,2H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyPTOBLJMWPQYSKQ-UHFFFAOYSA-N
XLogP1.29
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide
CID 61394762
5-(4-methylphenyl)-4-methylsulfonyl-1H-pyrazole
CID 97181583
5-(4-ethylphenyl)-1H-pyrazole-4-carbonitrile
CID 39096341
5-(4-propylphenyl)-1H-pyrazole-4-carbaldehyde
CID 28948694
N-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 79485257
5-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824428
4-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]aniline
CID 112839432
4-ethyl-2-fluorobenzenesulfonamide
CID 134317094
5-(2,6-difluorophenyl)-1H-pyrazole-4-sulfonamide
CID 61395273
2,5-dichloro-N-[(Z)-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzenesulfonamide
CID 135647557
5-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 53490374
5-phenyl-1H-pyrazole-4-sulfonyl chloride
CID 61394866

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-(4-ethylphenyl)-1H-pyrazole-4-sulfonamide (CID 61395345) is 5-(4-ethylphenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-(4-ethylphenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-(4-ethylphenyl)-1H-pyrazole-4-sulfonamide is CCc1ccc(-c2[nH]ncc2S(N)(=O)=O)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is PTOBLJMWPQYSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-2-8-3-5-9(6-4-8)11-10(7-13-14-11)17(12,15)16/h3-7H,2H2,1H3,(H,13,14)(H2,12,15,16).
What are the key properties of 5-(4-ethylphenyl)-1H-pyrazole-4-sulfonamide?
5-(4-ethylphenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 251.31 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61395345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).