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

C16H20N4O2S — CID 16941993

IUPACN-[6-(cyclopentylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC3CCCC3)nn2)cc1
InChIInChI=1S/C16H20N4O2S/c1-12-6-8-14(9-7-12)23(21,22)20-16-11-10-15(18-19-16)17-13-4-2-3-5-13/h6-11,13H,2-5H2,1H3,(H,17,18)(H,19,20)
InChIKeyHPQWKEKQMFPVJE-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.94
Rot. Bonds5

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

N-[6-(cyclopentylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide (PubChem CID 16941993) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[6-(cyclopentylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(cyclopentylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide
PubChem CID16941993
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-[6-(cyclopentylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC3CCCC3)nn2)cc1
InChIInChI=1S/C16H20N4O2S/c1-12-6-8-14(9-7-12)23(21,22)20-16-11-10-15(18-19-16)17-13-4-2-3-5-13/h6-11,13H,2-5H2,1H3,(H,17,18)(H,19,20)
InChIKeyHPQWKEKQMFPVJE-UHFFFAOYSA-N
XLogP2.94
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(cyclopentylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
CID 16942064
N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethylbenzenesulfonamide
CID 113039144
N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
CID 16941956
N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
CID 113039174
N-[6-(cyclopropylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038121
N-[6-(cyclopropylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
CID 113038166
N-[4-(cyclopentylamino)phenyl]-4-methylbenzenesulfonamide
CID 70598205
N-[6-(cyclopropylamino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide
CID 113038129
N-[6-(cyclopentylamino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113038928
N-[6-(cyclohexylamino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113039171
2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzenesulfonamide
CID 16942206
N-[6-(cyclopropylamino)pyridazin-3-yl]methanesulfonamide
CID 113038116

Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclopentylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[6-(cyclopentylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide (CID 16941993) is N-[6-(cyclopentylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-(cyclopentylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[6-(cyclopentylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(NC3CCCC3)nn2)cc1.
What is the InChIKey of N-[6-(cyclopentylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide?
The InChIKey is HPQWKEKQMFPVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-12-6-8-14(9-7-12)23(21,22)20-16-11-10-15(18-19-16)17-13-4-2-3-5-13/h6-11,13H,2-5H2,1H3,(H,17,18)(H,19,20).
What are the key properties of N-[6-(cyclopentylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide?
N-[6-(cyclopentylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide has a molecular weight of 332.43 g/mol, XLogP of 2.94, 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-methylbenzenesulfonamide is sourced from PubChem (CID 16941993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).