4-amino-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide

C9H12N4O2S2 — CID 54951837

IUPAC4-amino-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide
SMILESNc1csc(S(=O)(=O)NCCn2cccn2)c1
InChIInChI=1S/C9H12N4O2S2/c10-8-6-9(16-7-8)17(14,15)12-3-5-13-4-1-2-11-13/h1-2,4,6-7,12H,3,5,10H2
InChIKeyDDOSIYCOMDLNPF-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.51
Rot. Bonds5

About 4-amino-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide

4-amino-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide (PubChem CID 54951837) has the molecular formula C9H12N4O2S2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-amino-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide
PubChem CID54951837
Molecular FormulaC9H12N4O2S2
Molecular Weight272.35 g/mol
Exact Mass272.04
IUPAC Name4-amino-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide
SMILESNc1csc(S(=O)(=O)NCCn2cccn2)c1
InChIInChI=1S/C9H12N4O2S2/c10-8-6-9(16-7-8)17(14,15)12-3-5-13-4-1-2-11-13/h1-2,4,6-7,12H,3,5,10H2
InChIKeyDDOSIYCOMDLNPF-UHFFFAOYSA-N
XLogP0.51
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide (CID 54951837) is 4-amino-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide is Nc1csc(S(=O)(=O)NCCn2cccn2)c1.
What is the InChIKey of 4-amino-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide?
The InChIKey is DDOSIYCOMDLNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S2/c10-8-6-9(16-7-8)17(14,15)12-3-5-13-4-1-2-11-13/h1-2,4,6-7,12H,3,5,10H2.
What are the key properties of 4-amino-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide?
4-amino-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide has a molecular weight of 272.35 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 54951837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).