N-[6-(2-methoxyethylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide

C12H16N4O3S2 — CID 113039493

IUPACN-[6-(2-methoxyethylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
SMILESCOCCNc1ccc(NS(=O)(=O)c2ccc(C)s2)nn1
InChIInChI=1S/C12H16N4O3S2/c1-9-3-6-12(20-9)21(17,18)16-11-5-4-10(14-15-11)13-7-8-19-2/h3-6H,7-8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyGMLWIHDDNFOFMU-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.71
Rot. Bonds7

About N-[6-(2-methoxyethylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide

N-[6-(2-methoxyethylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide (PubChem CID 113039493) has the molecular formula C12H16N4O3S2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[6-(2-methoxyethylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[6-(2-methoxyethylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
PubChem CID113039493
Molecular FormulaC12H16N4O3S2
Molecular Weight328.42 g/mol
Exact Mass328.07
IUPAC NameN-[6-(2-methoxyethylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
SMILESCOCCNc1ccc(NS(=O)(=O)c2ccc(C)s2)nn1
InChIInChI=1S/C12H16N4O3S2/c1-9-3-6-12(20-9)21(17,18)16-11-5-4-10(14-15-11)13-7-8-19-2/h3-6H,7-8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyGMLWIHDDNFOFMU-UHFFFAOYSA-N
XLogP1.71
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113042391
N-[6-(tert-butylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113044335
N-[6-(2-methoxyethylamino)pyridazin-3-yl]methanesulfonamide
CID 113039467
N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113041587
2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]-4,5-dimethylbenzenesulfonamide
CID 113039614
5-bromo-N-[6-(2-methoxyethylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113010432
5-chloro-N-[6-(2-methoxyethylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113010420
N-[6-(2-chloroanilino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113047421
5-methyl-N-[6-(3-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113045782
5-methyl-N-[5-(pentylamino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113030482
5-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113030356
5-bromo-N-[4-(2-methoxyethylamino)phenyl]thiophene-2-sulfonamide
CID 112981010

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxyethylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[6-(2-methoxyethylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide (CID 113039493) is N-[6-(2-methoxyethylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[6-(2-methoxyethylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[6-(2-methoxyethylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide is COCCNc1ccc(NS(=O)(=O)c2ccc(C)s2)nn1.
What is the InChIKey of N-[6-(2-methoxyethylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide?
The InChIKey is GMLWIHDDNFOFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S2/c1-9-3-6-12(20-9)21(17,18)16-11-5-4-10(14-15-11)13-7-8-19-2/h3-6H,7-8H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of N-[6-(2-methoxyethylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide?
N-[6-(2-methoxyethylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide has a molecular weight of 328.42 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxyethylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 113039493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).