3,5-difluoro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzenesulfonamide

C15H15F2N3O3S — CID 122280969

IUPAC3,5-difluoro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzenesulfonamide
SMILESO=c1cc2c(nn1CCNS(=O)(=O)c1cc(F)cc(F)c1)CCC2
InChIInChI=1S/C15H15F2N3O3S/c16-11-7-12(17)9-13(8-11)24(22,23)18-4-5-20-15(21)6-10-2-1-3-14(10)19-20/h6-9,18H,1-5H2
InChIKeyVHLPKNSYMFXFQM-UHFFFAOYSA-N
MW355.37 g/mol
LogP0.99
Rot. Bonds5

About 3,5-difluoro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzenesulfonamide

3,5-difluoro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzenesulfonamide (PubChem CID 122280969) has the molecular formula C15H15F2N3O3S and a molecular weight of 355.37 g/mol. Its IUPAC name is 3,5-difluoro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-difluoro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzenesulfonamide
PubChem CID122280969
Molecular FormulaC15H15F2N3O3S
Molecular Weight355.37 g/mol
Exact Mass355.08
IUPAC Name3,5-difluoro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzenesulfonamide
SMILESO=c1cc2c(nn1CCNS(=O)(=O)c1cc(F)cc(F)c1)CCC2
InChIInChI=1S/C15H15F2N3O3S/c16-11-7-12(17)9-13(8-11)24(22,23)18-4-5-20-15(21)6-10-2-1-3-14(10)19-20/h6-9,18H,1-5H2
InChIKeyVHLPKNSYMFXFQM-UHFFFAOYSA-N
XLogP0.99
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]pyridine-3-sulfonamide
CID 122280910
N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 122280926
N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-4-phenylbenzenesulfonamide
CID 122277641
4-nitro-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzenesulfonamide
CID 122277638
11-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
CID 122277722
methyl 4-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethylsulfamoyl]benzoate
CID 122162346
2-[2-(dimethylsulfamoylamino)ethyl]-3-oxo-5,6,7,8-tetrahydrocinnoline
CID 122277609
N-[4-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethylsulfamoyl]phenyl]butanamide
CID 122280937
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3,5-difluorobenzenesulfonamide
CID 122278279
4-ethoxy-3-methyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzenesulfonamide
CID 122277709
3,5-dimethyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 122277623
5-bromo-2-methoxy-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzenesulfonamide
CID 122280920

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3,5-difluoro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzenesulfonamide (CID 122280969) is 3,5-difluoro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3,5-difluoro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3,5-difluoro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzenesulfonamide is O=c1cc2c(nn1CCNS(=O)(=O)c1cc(F)cc(F)c1)CCC2.
What is the InChIKey of 3,5-difluoro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzenesulfonamide?
The InChIKey is VHLPKNSYMFXFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O3S/c16-11-7-12(17)9-13(8-11)24(22,23)18-4-5-20-15(21)6-10-2-1-3-14(10)19-20/h6-9,18H,1-5H2.
What are the key properties of 3,5-difluoro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzenesulfonamide?
3,5-difluoro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzenesulfonamide has a molecular weight of 355.37 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 122280969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).