2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzenesulfonamide

C15H17ClN4O2S — CID 16942206

IUPAC2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NC2CCCC2)nn1)c1ccccc1Cl
InChIInChI=1S/C15H17ClN4O2S/c16-12-7-3-4-8-13(12)23(21,22)20-15-10-9-14(18-19-15)17-11-5-1-2-6-11/h3-4,7-11H,1-2,5-6H2,(H,17,18)(H,19,20)
InChIKeyFIKPMSKDTUBXPZ-UHFFFAOYSA-N
MW352.85 g/mol
LogP3.29
Rot. Bonds5

About 2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzenesulfonamide

2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzenesulfonamide (PubChem CID 16942206) has the molecular formula C15H17ClN4O2S and a molecular weight of 352.85 g/mol. Its IUPAC name is 2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzenesulfonamide
PubChem CID16942206
Molecular FormulaC15H17ClN4O2S
Molecular Weight352.85 g/mol
Exact Mass352.08
IUPAC Name2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NC2CCCC2)nn1)c1ccccc1Cl
InChIInChI=1S/C15H17ClN4O2S/c16-12-7-3-4-8-13(12)23(21,22)20-15-10-9-14(18-19-15)17-11-5-1-2-6-11/h3-4,7-11H,1-2,5-6H2,(H,17,18)(H,19,20)
InChIKeyFIKPMSKDTUBXPZ-UHFFFAOYSA-N
XLogP3.29
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.85
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzenesulfonamide (CID 16942206) is 2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzenesulfonamide is O=S(=O)(Nc1ccc(NC2CCCC2)nn1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzenesulfonamide?
The InChIKey is FIKPMSKDTUBXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2S/c16-12-7-3-4-8-13(12)23(21,22)20-15-10-9-14(18-19-15)17-11-5-1-2-6-11/h3-4,7-11H,1-2,5-6H2,(H,17,18)(H,19,20).
What are the key properties of 2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzenesulfonamide?
2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzenesulfonamide has a molecular weight of 352.85 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 16942206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).