4-amino-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide

C9H12N4O2S2 — CID 104616767

IUPAC4-amino-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILESCCc1cc(NS(=O)(=O)c2cc(N)cs2)n[nH]1
InChIInChI=1S/C9H12N4O2S2/c1-2-7-4-8(12-11-7)13-17(14,15)9-3-6(10)5-16-9/h3-5H,2,10H2,1H3,(H2,11,12,13)
InChIKeyQQEQJTCUNBTDOV-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.42
Rot. Bonds4

About 4-amino-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide

4-amino-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide (PubChem CID 104616767) has the molecular formula C9H12N4O2S2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-amino-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
PubChem CID104616767
Molecular FormulaC9H12N4O2S2
Molecular Weight272.35 g/mol
Exact Mass272.04
IUPAC Name4-amino-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILESCCc1cc(NS(=O)(=O)c2cc(N)cs2)n[nH]1
InChIInChI=1S/C9H12N4O2S2/c1-2-7-4-8(12-11-7)13-17(14,15)9-3-6(10)5-16-9/h3-5H,2,10H2,1H3,(H2,11,12,13)
InChIKeyQQEQJTCUNBTDOV-UHFFFAOYSA-N
XLogP1.42
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide (CID 104616767) is 4-amino-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide is CCc1cc(NS(=O)(=O)c2cc(N)cs2)n[nH]1.
What is the InChIKey of 4-amino-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is QQEQJTCUNBTDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S2/c1-2-7-4-8(12-11-7)13-17(14,15)9-3-6(10)5-16-9/h3-5H,2,10H2,1H3,(H2,11,12,13).
What are the key properties of 4-amino-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
4-amino-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 272.35 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 104616767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).