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

C18H18N4O2S — CID 113046847

IUPACN-[6-(N-ethylanilino)pyridazin-3-yl]benzenesulfonamide
SMILESCCN(c1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)nn1
InChIInChI=1S/C18H18N4O2S/c1-2-22(15-9-5-3-6-10-15)18-14-13-17(19-20-18)21-25(23,24)16-11-7-4-8-12-16/h3-14H,2H2,1H3,(H,19,21)
InChIKeyDJVSSNQPGKFRIX-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.44
Rot. Bonds6

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

N-[6-(N-ethylanilino)pyridazin-3-yl]benzenesulfonamide (PubChem CID 113046847) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-[6-(N-ethylanilino)pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[6-(N-ethylanilino)pyridazin-3-yl]benzenesulfonamide
PubChem CID113046847
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-[6-(N-ethylanilino)pyridazin-3-yl]benzenesulfonamide
SMILESCCN(c1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)nn1
InChIInChI=1S/C18H18N4O2S/c1-2-22(15-9-5-3-6-10-15)18-14-13-17(19-20-18)21-25(23,24)16-11-7-4-8-12-16/h3-14H,2H2,1H3,(H,19,21)
InChIKeyDJVSSNQPGKFRIX-UHFFFAOYSA-N
XLogP3.44
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-(3-(6-(piperidin-1-yl)pyridazin-3-yl)phenyl)benzenesulfonamide
CID 16029023
N-(3-(6-(azepan-1-yl)pyridazin-3-yl)phenyl)-3-fluorobenzenesulfonamide
CID 16029078
N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-4-methylbenzenesulfonamide
CID 22576109
N-[6-[4-(dimethylamino)phenyl]pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 162651042
N-[6-[3-(dimethylamino)phenyl]pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 162651855
N-(4-(6-(azepan-1-yl)pyridazin-3-yl)phenyl)-4-ethylbenzenesulfonamide
CID 16029157
N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide
CID 2999131
2,5-difluoro-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 7520765
2,4-difluoro-N-(3-(6-(pyrrolidin-1-yl)pyridazin-3-yl)phenyl)benzenesulfonamide
CID 7524059
2,4-difluoro-N-(3-(6-(4-methylpiperidin-1-yl)pyridazin-3-yl)phenyl)benzenesulfonamide
CID 16028973
3-methyl-N-(3-(6-(piperidin-1-yl)pyridazin-3-yl)phenyl)benzenesulfonamide
CID 16029010
N-{3-[6-(Azepan-1-YL)pyridazin-3-YL]phenyl}benzenesulfonamide
CID 16029070

Frequently Asked Questions

What is the IUPAC name of N-[6-(N-ethylanilino)pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of N-[6-(N-ethylanilino)pyridazin-3-yl]benzenesulfonamide (CID 113046847) is N-[6-(N-ethylanilino)pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[6-(N-ethylanilino)pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for N-[6-(N-ethylanilino)pyridazin-3-yl]benzenesulfonamide is CCN(c1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)nn1.
What is the InChIKey of N-[6-(N-ethylanilino)pyridazin-3-yl]benzenesulfonamide?
The InChIKey is DJVSSNQPGKFRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-2-22(15-9-5-3-6-10-15)18-14-13-17(19-20-18)21-25(23,24)16-11-7-4-8-12-16/h3-14H,2H2,1H3,(H,19,21).
What are the key properties of N-[6-(N-ethylanilino)pyridazin-3-yl]benzenesulfonamide?
N-[6-(N-ethylanilino)pyridazin-3-yl]benzenesulfonamide has a molecular weight of 354.44 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(N-ethylanilino)pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 113046847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).