1-ethyl-N-thiophen-3-ylpyrazole-4-sulfonamide

C9H11N3O2S2 — CID 71998246

IUPAC1-ethyl-N-thiophen-3-ylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccsc2)cn1
InChIInChI=1S/C9H11N3O2S2/c1-2-12-6-9(5-10-12)16(13,14)11-8-3-4-15-7-8/h3-7,11H,2H2,1H3
InChIKeyYRJCJHVFLNNOEH-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.77
Rot. Bonds4

About 1-ethyl-N-thiophen-3-ylpyrazole-4-sulfonamide

1-ethyl-N-thiophen-3-ylpyrazole-4-sulfonamide (PubChem CID 71998246) has the molecular formula C9H11N3O2S2 and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-ethyl-N-thiophen-3-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-thiophen-3-ylpyrazole-4-sulfonamide
PubChem CID71998246
Molecular FormulaC9H11N3O2S2
Molecular Weight257.34 g/mol
Exact Mass257.03
IUPAC Name1-ethyl-N-thiophen-3-ylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccsc2)cn1
InChIInChI=1S/C9H11N3O2S2/c1-2-12-6-9(5-10-12)16(13,14)11-8-3-4-15-7-8/h3-7,11H,2H2,1H3
InChIKeyYRJCJHVFLNNOEH-UHFFFAOYSA-N
XLogP1.77
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(propylamino)ethyl]-N-thiophen-3-ylpyrazole-4-sulfonamide
CID 106069903
1-ethyl-N-[4-(ethylsulfamoyl)phenyl]pyrazole-4-sulfonamide
CID 22203400
N-(1-ethylpyrazol-4-yl)sulfonyl-3-thiophen-3-ylpropanamide
CID 71978362
N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-4-sulfonamide
CID 6469273
2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43543582
N-[2,6-di(propan-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide
CID 19684001
2-(propylamino)-N-thiophen-3-ylpyrimidine-5-sulfonamide
CID 66353570
1-ethyl-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-4-sulfonamide
CID 22203721
1-ethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 19684607
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethylpyrazole-4-sulfonamide
CID 19683725
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-1-ethylpyrazole-4-sulfonamide
CID 17263026
N-(1-ethylpyrazol-4-yl)-4-hydrazinylbenzenesulfonamide
CID 43543964

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-thiophen-3-ylpyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-thiophen-3-ylpyrazole-4-sulfonamide (CID 71998246) is 1-ethyl-N-thiophen-3-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-thiophen-3-ylpyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-thiophen-3-ylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2ccsc2)cn1.
What is the InChIKey of 1-ethyl-N-thiophen-3-ylpyrazole-4-sulfonamide?
The InChIKey is YRJCJHVFLNNOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S2/c1-2-12-6-9(5-10-12)16(13,14)11-8-3-4-15-7-8/h3-7,11H,2H2,1H3.
What are the key properties of 1-ethyl-N-thiophen-3-ylpyrazole-4-sulfonamide?
1-ethyl-N-thiophen-3-ylpyrazole-4-sulfonamide has a molecular weight of 257.34 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-thiophen-3-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 71998246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).