N-[6-(cyclopentylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide

C15H17FN4O2S — CID 16942064

IUPACN-[6-(cyclopentylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NC2CCCC2)nn1)c1ccc(F)cc1
InChIInChI=1S/C15H17FN4O2S/c16-11-5-7-13(8-6-11)23(21,22)20-15-10-9-14(18-19-15)17-12-3-1-2-4-12/h5-10,12H,1-4H2,(H,17,18)(H,19,20)
InChIKeyODUKNYBSDIYNAS-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.77
Rot. Bonds5

About N-[6-(cyclopentylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide

N-[6-(cyclopentylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide (PubChem CID 16942064) has the molecular formula C15H17FN4O2S and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[6-(cyclopentylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(cyclopentylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
PubChem CID16942064
Molecular FormulaC15H17FN4O2S
Molecular Weight336.39 g/mol
Exact Mass336.11
IUPAC NameN-[6-(cyclopentylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NC2CCCC2)nn1)c1ccc(F)cc1
InChIInChI=1S/C15H17FN4O2S/c16-11-5-7-13(8-6-11)23(21,22)20-15-10-9-14(18-19-15)17-12-3-1-2-4-12/h5-10,12H,1-4H2,(H,17,18)(H,19,20)
InChIKeyODUKNYBSDIYNAS-UHFFFAOYSA-N
XLogP2.77
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(cyclopentylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 16941993
N-[5-(cycloheptylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide
CID 113030160
N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethylbenzenesulfonamide
CID 113039144
N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
CID 16941956
N-[6-(cyclopropylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038121
N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
CID 113039174
N-[6-(cyclopropylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
CID 113038166
4-fluoro-N-[6-(4-fluoroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113047314
N-[6-(cyclopentylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113038925
2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzenesulfonamide
CID 16942206
N-[6-(cyclohexylamino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113039171
N-[6-(cyclopentylamino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113038928

Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclopentylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[6-(cyclopentylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide (CID 16942064) is N-[6-(cyclopentylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[6-(cyclopentylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[6-(cyclopentylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide is O=S(=O)(Nc1ccc(NC2CCCC2)nn1)c1ccc(F)cc1.
What is the InChIKey of N-[6-(cyclopentylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide?
The InChIKey is ODUKNYBSDIYNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2S/c16-11-5-7-13(8-6-11)23(21,22)20-15-10-9-14(18-19-15)17-12-3-1-2-4-12/h5-10,12H,1-4H2,(H,17,18)(H,19,20).
What are the key properties of N-[6-(cyclopentylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide?
N-[6-(cyclopentylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide has a molecular weight of 336.39 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclopentylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 16942064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).