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

C18H18N4O2S — CID 16941820

IUPACN-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NCCc2ccccc2)nn1)c1ccccc1
InChIInChI=1S/C18H18N4O2S/c23-25(24,16-9-5-2-6-10-16)22-18-12-11-17(20-21-18)19-14-13-15-7-3-1-4-8-15/h1-12H,13-14H2,(H,19,20)(H,21,22)
InChIKeyUERDCXZVCTUDEA-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.93
Rot. Bonds7

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

N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide (PubChem CID 16941820) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide
PubChem CID16941820
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NCCc2ccccc2)nn1)c1ccccc1
InChIInChI=1S/C18H18N4O2S/c23-25(24,16-9-5-2-6-10-16)22-18-12-11-17(20-21-18)19-14-13-15-7-3-1-4-8-15/h1-12H,13-14H2,(H,19,20)(H,21,22)
InChIKeyUERDCXZVCTUDEA-UHFFFAOYSA-N
XLogP2.93
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide
CID 16941890
5-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113042391
N-[6-(benzylamino)pyridazin-3-yl]-4-tert-butylbenzenesulfonamide
CID 113040855
N-[6-(benzylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 16942022
6-(2-phenylethylamino)pyridazine-3-carboxylic acid
CID 10332018
N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 113040931
N-[5-(3-phenylpropylamino)-2-pyridinyl]benzenesulfonamide
CID 113029860
2,5-dimethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzenesulfonamide
CID 113044146
3,5-dimethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]-1H-pyrazole-4-sulfonamide
CID 113044152
N-[6-(cyclopropylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038121
4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide
CID 5222462
3-methyl-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 113041051

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide (CID 16941820) is N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide is O=S(=O)(Nc1ccc(NCCc2ccccc2)nn1)c1ccccc1.
What is the InChIKey of N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide?
The InChIKey is UERDCXZVCTUDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c23-25(24,16-9-5-2-6-10-16)22-18-12-11-17(20-21-18)19-14-13-15-7-3-1-4-8-15/h1-12H,13-14H2,(H,19,20)(H,21,22).
What are the key properties of N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide?
N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide has a molecular weight of 354.44 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 16941820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).