4-(aminomethyl)-N-pyridazin-3-ylthiophene-2-sulfonamide

C9H10N4O2S2 — CID 106084249

IUPAC4-(aminomethyl)-N-pyridazin-3-ylthiophene-2-sulfonamide
SMILESNCc1csc(S(=O)(=O)Nc2cccnn2)c1
InChIInChI=1S/C9H10N4O2S2/c10-5-7-4-9(16-6-7)17(14,15)13-8-2-1-3-11-12-8/h1-4,6H,5,10H2,(H,12,13)
InChIKeyXNQGFTYWWMZKHW-UHFFFAOYSA-N
MW270.34 g/mol
LogP0.80
Rot. Bonds4

About 4-(aminomethyl)-N-pyridazin-3-ylthiophene-2-sulfonamide

4-(aminomethyl)-N-pyridazin-3-ylthiophene-2-sulfonamide (PubChem CID 106084249) has the molecular formula C9H10N4O2S2 and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-(aminomethyl)-N-pyridazin-3-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-pyridazin-3-ylthiophene-2-sulfonamide
PubChem CID106084249
Molecular FormulaC9H10N4O2S2
Molecular Weight270.34 g/mol
Exact Mass270.02
IUPAC Name4-(aminomethyl)-N-pyridazin-3-ylthiophene-2-sulfonamide
SMILESNCc1csc(S(=O)(=O)Nc2cccnn2)c1
InChIInChI=1S/C9H10N4O2S2/c10-5-7-4-9(16-6-7)17(14,15)13-8-2-1-3-11-12-8/h1-4,6H,5,10H2,(H,12,13)
InChIKeyXNQGFTYWWMZKHW-UHFFFAOYSA-N
XLogP0.80
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-N-pyridazin-3-ylthiophene-3-sulfonamide
CID 106084044
5-(aminomethyl)-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 106084095
4-(aminomethyl)-N-quinolin-8-ylthiophene-2-sulfonamide
CID 106048429
4-(aminomethyl)-N-(2,6-dibromophenyl)thiophene-2-sulfonamide
CID 106088925
4-(aminomethyl)-N-(2-chlorophenyl)thiophene-2-sulfonamide
CID 114141245
4-(aminomethyl)-N-(2,3-difluorophenyl)thiophene-2-sulfonamide
CID 106017490
4-(aminomethyl)-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
CID 107886913
4-(aminomethyl)-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 106057742
4-(aminomethyl)-N-(2,4,5-trifluorophenyl)thiophene-2-sulfonamide
CID 106056093
4-(aminomethyl)-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide
CID 106087571
4-(aminomethyl)-N-(1-methylpyrazol-4-yl)thiophene-2-sulfonamide
CID 114134463
4-[(cyclopropylamino)methyl]-N-pyridin-2-ylthiophene-2-sulfonamide
CID 106082542

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-pyridazin-3-ylthiophene-2-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-pyridazin-3-ylthiophene-2-sulfonamide (CID 106084249) is 4-(aminomethyl)-N-pyridazin-3-ylthiophene-2-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-pyridazin-3-ylthiophene-2-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-pyridazin-3-ylthiophene-2-sulfonamide is NCc1csc(S(=O)(=O)Nc2cccnn2)c1.
What is the InChIKey of 4-(aminomethyl)-N-pyridazin-3-ylthiophene-2-sulfonamide?
The InChIKey is XNQGFTYWWMZKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S2/c10-5-7-4-9(16-6-7)17(14,15)13-8-2-1-3-11-12-8/h1-4,6H,5,10H2,(H,12,13).
What are the key properties of 4-(aminomethyl)-N-pyridazin-3-ylthiophene-2-sulfonamide?
4-(aminomethyl)-N-pyridazin-3-ylthiophene-2-sulfonamide has a molecular weight of 270.34 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-pyridazin-3-ylthiophene-2-sulfonamide is sourced from PubChem (CID 106084249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).