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

C18H17ClN4O2S — CID 16941890

IUPAC4-chloro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NCCc2ccccc2)nn1)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN4O2S/c19-15-6-8-16(9-7-15)26(24,25)23-18-11-10-17(21-22-18)20-13-12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,20,21)(H,22,23)
InChIKeyWAAYEUICQHQOOW-UHFFFAOYSA-N
MW388.88 g/mol
LogP3.59
Rot. Bonds7

About 4-chloro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide

4-chloro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide (PubChem CID 16941890) has the molecular formula C18H17ClN4O2S and a molecular weight of 388.88 g/mol. Its IUPAC name is 4-chloro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide
PubChem CID16941890
Molecular FormulaC18H17ClN4O2S
Molecular Weight388.88 g/mol
Exact Mass388.08
IUPAC Name4-chloro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NCCc2ccccc2)nn1)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN4O2S/c19-15-6-8-16(9-7-15)26(24,25)23-18-11-10-17(21-22-18)20-13-12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,20,21)(H,22,23)
InChIKeyWAAYEUICQHQOOW-UHFFFAOYSA-N
XLogP3.59
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide
CID 16941820
N-[6-(benzylamino)pyridazin-3-yl]-4-tert-butylbenzenesulfonamide
CID 113040855
5-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113042391
N-[6-(benzylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 16942022
N-[(4-chlorophenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109119889
4-chloro-N-[2-(2-phenylethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]benzenesulfonamide
CID 52947008
N-[6-(benzylamino)pyridazin-3-yl]-4-chloro-3-methylbenzenesulfonamide
CID 113040848
6-(2-phenylethylamino)pyridazine-3-carboxylic acid
CID 10332018
acetonitrile;4-chloro-N-(2-phenylethyl)benzenesulfonamide;hydrate
CID 174293454
2,5-dimethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzenesulfonamide
CID 113044146
4-chloro-N-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 3366097
N-[6-(2,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050807

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide (CID 16941890) is 4-chloro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide is O=S(=O)(Nc1ccc(NCCc2ccccc2)nn1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide?
The InChIKey is WAAYEUICQHQOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2S/c19-15-6-8-16(9-7-15)26(24,25)23-18-11-10-17(21-22-18)20-13-12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,20,21)(H,22,23).
What are the key properties of 4-chloro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide?
4-chloro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide has a molecular weight of 388.88 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 16941890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).