3-chloro-N-[6-(4-ethylanilino)pyridazin-3-yl]benzenesulfonamide

C18H17ClN4O2S — CID 113046777

IUPAC3-chloro-N-[6-(4-ethylanilino)pyridazin-3-yl]benzenesulfonamide
SMILESCCc1ccc(Nc2ccc(NS(=O)(=O)c3cccc(Cl)c3)nn2)cc1
InChIInChI=1S/C18H17ClN4O2S/c1-2-13-6-8-15(9-7-13)20-17-10-11-18(22-21-17)23-26(24,25)16-5-3-4-14(19)12-16/h3-12H,2H2,1H3,(H,20,21)(H,22,23)
InChIKeyPUQZQHDMMNCFON-UHFFFAOYSA-N
MW388.88 g/mol
LogP4.24
Rot. Bonds6

About 3-chloro-N-[6-(4-ethylanilino)pyridazin-3-yl]benzenesulfonamide

3-chloro-N-[6-(4-ethylanilino)pyridazin-3-yl]benzenesulfonamide (PubChem CID 113046777) has the molecular formula C18H17ClN4O2S and a molecular weight of 388.88 g/mol. Its IUPAC name is 3-chloro-N-[6-(4-ethylanilino)pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[6-(4-ethylanilino)pyridazin-3-yl]benzenesulfonamide
PubChem CID113046777
Molecular FormulaC18H17ClN4O2S
Molecular Weight388.88 g/mol
Exact Mass388.08
IUPAC Name3-chloro-N-[6-(4-ethylanilino)pyridazin-3-yl]benzenesulfonamide
SMILESCCc1ccc(Nc2ccc(NS(=O)(=O)c3cccc(Cl)c3)nn2)cc1
InChIInChI=1S/C18H17ClN4O2S/c1-2-13-6-8-15(9-7-13)20-17-10-11-18(22-21-17)23-26(24,25)16-5-3-4-14(19)12-16/h3-12H,2H2,1H3,(H,20,21)(H,22,23)
InChIKeyPUQZQHDMMNCFON-UHFFFAOYSA-N
XLogP4.24
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3-chloroanilino)pyridazin-3-yl]-4-ethylbenzenesulfonamide
CID 113047503
3-chloro-N-[6-(3,5-dimethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046483
N-[6-(4-ethylanilino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 113046757
3-chloro-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046629
3-methyl-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113045894
N-[6-(2-chloroanilino)pyridazin-3-yl]-4-ethylbenzenesulfonamide
CID 113047417
3-chloro-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 16802137
N-[6-(3,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050774
4-chloro-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113045875
N-[5-(4-ethylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032527
2-[(3-chlorophenyl)sulfonylamino]-5-ethylbenzoic acid
CID 11724797
N-[6-(4-methoxyanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide
CID 113048363

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[6-(4-ethylanilino)pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[6-(4-ethylanilino)pyridazin-3-yl]benzenesulfonamide (CID 113046777) is 3-chloro-N-[6-(4-ethylanilino)pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[6-(4-ethylanilino)pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[6-(4-ethylanilino)pyridazin-3-yl]benzenesulfonamide is CCc1ccc(Nc2ccc(NS(=O)(=O)c3cccc(Cl)c3)nn2)cc1.
What is the InChIKey of 3-chloro-N-[6-(4-ethylanilino)pyridazin-3-yl]benzenesulfonamide?
The InChIKey is PUQZQHDMMNCFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2S/c1-2-13-6-8-15(9-7-13)20-17-10-11-18(22-21-17)23-26(24,25)16-5-3-4-14(19)12-16/h3-12H,2H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 3-chloro-N-[6-(4-ethylanilino)pyridazin-3-yl]benzenesulfonamide?
3-chloro-N-[6-(4-ethylanilino)pyridazin-3-yl]benzenesulfonamide has a molecular weight of 388.88 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[6-(4-ethylanilino)pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 113046777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).