N-[6-(cyclopropylamino)pyridazin-3-yl]benzenesulfonamide

C13H14N4O2S — CID 113038121

IUPACN-[6-(cyclopropylamino)pyridazin-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NC2CC2)nn1)c1ccccc1
InChIInChI=1S/C13H14N4O2S/c18-20(19,11-4-2-1-3-5-11)17-13-9-8-12(15-16-13)14-10-6-7-10/h1-5,8-10H,6-7H2,(H,14,15)(H,16,17)
InChIKeySIDJNSJJQDSJCM-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.85
Rot. Bonds5

About N-[6-(cyclopropylamino)pyridazin-3-yl]benzenesulfonamide

N-[6-(cyclopropylamino)pyridazin-3-yl]benzenesulfonamide (PubChem CID 113038121) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-[6-(cyclopropylamino)pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[6-(cyclopropylamino)pyridazin-3-yl]benzenesulfonamide
PubChem CID113038121
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC NameN-[6-(cyclopropylamino)pyridazin-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NC2CC2)nn1)c1ccccc1
InChIInChI=1S/C13H14N4O2S/c18-20(19,11-4-2-1-3-5-11)17-13-9-8-12(15-16-13)14-10-6-7-10/h1-5,8-10H,6-7H2,(H,14,15)(H,16,17)
InChIKeySIDJNSJJQDSJCM-UHFFFAOYSA-N
XLogP1.85
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.85
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-[6-(cyclopentylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
CID 16942064
N-[5-(cyclopropylamino)-2-pyridinyl]benzenesulfonamide
CID 113023765
N-[6-(cyclopropylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
CID 113038166
2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzenesulfonamide
CID 16942206
N-[6-(cyclopropylamino)pyridazin-3-yl]methanesulfonamide
CID 113038116
N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
CID 16941956
N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethylbenzenesulfonamide
CID 113039144
N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
CID 113039174
N-[6-(cyclopropylamino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide
CID 113038129
N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide
CID 16941820
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-(cyclopropylamino)pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of N-[6-(cyclopropylamino)pyridazin-3-yl]benzenesulfonamide (CID 113038121) is N-[6-(cyclopropylamino)pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[6-(cyclopropylamino)pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for N-[6-(cyclopropylamino)pyridazin-3-yl]benzenesulfonamide is O=S(=O)(Nc1ccc(NC2CC2)nn1)c1ccccc1.
What is the InChIKey of N-[6-(cyclopropylamino)pyridazin-3-yl]benzenesulfonamide?
The InChIKey is SIDJNSJJQDSJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c18-20(19,11-4-2-1-3-5-11)17-13-9-8-12(15-16-13)14-10-6-7-10/h1-5,8-10H,6-7H2,(H,14,15)(H,16,17).
What are the key properties of N-[6-(cyclopropylamino)pyridazin-3-yl]benzenesulfonamide?
N-[6-(cyclopropylamino)pyridazin-3-yl]benzenesulfonamide has a molecular weight of 290.35 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclopropylamino)pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 113038121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).