N-(3-fluoro-4-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

C15H12FN3O3S2 — CID 20923059

IUPACN-(3-fluoro-4-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)cc1F
InChIInChI=1S/C15H12FN3O3S2/c1-9-2-3-10(8-11(9)16)19-24(21,22)15-7-5-13(23-15)12-4-6-14(20)18-17-12/h2-8,19H,1H3,(H,18,20)
InChIKeyHFCZLMUZTDAQSN-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.75
Rot. Bonds4

About N-(3-fluoro-4-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

N-(3-fluoro-4-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 20923059) has the molecular formula C15H12FN3O3S2 and a molecular weight of 365.41 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID20923059
Molecular FormulaC15H12FN3O3S2
Molecular Weight365.41 g/mol
Exact Mass365.03
IUPAC NameN-(3-fluoro-4-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)cc1F
InChIInChI=1S/C15H12FN3O3S2/c1-9-2-3-10(8-11(9)16)19-24(21,22)15-7-5-13(23-15)12-4-6-14(20)18-17-12/h2-8,19H,1H3,(H,18,20)
InChIKeyHFCZLMUZTDAQSN-UHFFFAOYSA-N
XLogP2.75
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-difluorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 2348373
N-[(E)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino]-4-methylaniline
CID 5921919
N-[(E)-1-thiophen-2-ylethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 6116707
N-[(E)-1-phenylethylideneamino]-4-(2-thienylsulfonylamino)benzamide
CID 9623759
N-[(3-Methylphenyl)methyl]-5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamide
CID 20939845
N-(3,4-dimethylphenyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20939814
N-(4-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20969996
5-(6-Oxo-1,6-dihydropyridazin-3-YL)-N-(5,6,7,8-tetrahydronaphthalen-1-YL)thiophene-2-sulfonamide
CID 20923078
3-fluoro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]benzenesulfonamide
CID 178296701
5-chloro-N-[4-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]thiophene-2-sulfonamide
CID 18588440
N-benzyl-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 45106660
5-(6-oxo-1,6-dihydropyridazin-3-yl)-N-phenylthiophene-2-sulfonamide
CID 45106670

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 20923059) is N-(3-fluoro-4-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is HFCZLMUZTDAQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3S2/c1-9-2-3-10(8-11(9)16)19-24(21,22)15-7-5-13(23-15)12-4-6-14(20)18-17-12/h2-8,19H,1H3,(H,18,20).
What are the key properties of N-(3-fluoro-4-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-(3-fluoro-4-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 365.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20923059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).