N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-sulfonamide

C15H14N4O3S2 — CID 113048262

IUPACN-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-sulfonamide
SMILESCOc1cccc(Nc2ccc(NS(=O)(=O)c3cccs3)nn2)c1
InChIInChI=1S/C15H14N4O3S2/c1-22-12-5-2-4-11(10-12)16-13-7-8-14(18-17-13)19-24(20,21)15-6-3-9-23-15/h2-10H,1H3,(H,16,17)(H,18,19)
InChIKeyYISAZCGSLOMRMG-UHFFFAOYSA-N
MW362.44 g/mol
LogP3.09
Rot. Bonds6

About N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-sulfonamide

N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-sulfonamide (PubChem CID 113048262) has the molecular formula C15H14N4O3S2 and a molecular weight of 362.44 g/mol. Its IUPAC name is N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-sulfonamide
PubChem CID113048262
Molecular FormulaC15H14N4O3S2
Molecular Weight362.44 g/mol
Exact Mass362.05
IUPAC NameN-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-sulfonamide
SMILESCOc1cccc(Nc2ccc(NS(=O)(=O)c3cccs3)nn2)c1
InChIInChI=1S/C15H14N4O3S2/c1-22-12-5-2-4-11(10-12)16-13-7-8-14(18-17-13)19-24(20,21)15-6-3-9-23-15/h2-10H,1H3,(H,16,17)(H,18,19)
InChIKeyYISAZCGSLOMRMG-UHFFFAOYSA-N
XLogP3.09
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113019463
N-[3-(3-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2309402
N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113048189
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113051603
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113020133
N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenylethanesulfonamide
CID 113048267
1-(3-methoxyphenyl)-3-thiophen-2-ylsulfonylurea
CID 95560374
N-[6-(tert-butylamino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113044334
N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113032152
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113020007
N-(3-methoxyphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
CID 24628378
N-[6-(3-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113021347

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-sulfonamide (CID 113048262) is N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-sulfonamide is COc1cccc(Nc2ccc(NS(=O)(=O)c3cccs3)nn2)c1.
What is the InChIKey of N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-sulfonamide?
The InChIKey is YISAZCGSLOMRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S2/c1-22-12-5-2-4-11(10-12)16-13-7-8-14(18-17-13)19-24(20,21)15-6-3-9-23-15/h2-10H,1H3,(H,16,17)(H,18,19).
What are the key properties of N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-sulfonamide?
N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-sulfonamide has a molecular weight of 362.44 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 113048262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).