N-(6-chloropyridazin-3-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzenesulfonamide

C16H15ClN6O2S — CID 7574897

IUPACN-(6-chloropyridazin-3-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzenesulfonamide
SMILESCc1cc(C)nc(Nc2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)n1
InChIInChI=1S/C16H15ClN6O2S/c1-10-9-11(2)19-16(18-10)20-12-3-5-13(6-4-12)26(24,25)23-15-8-7-14(17)21-22-15/h3-9H,1-2H3,(H,22,23)(H,18,19,20)
InChIKeyGAYYNHUUQGUREA-UHFFFAOYSA-N
MW390.86 g/mol
LogP3.08
Rot. Bonds5

About N-(6-chloropyridazin-3-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzenesulfonamide

N-(6-chloropyridazin-3-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzenesulfonamide (PubChem CID 7574897) has the molecular formula C16H15ClN6O2S and a molecular weight of 390.86 g/mol. Its IUPAC name is N-(6-chloropyridazin-3-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-(6-chloropyridazin-3-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzenesulfonamide
PubChem CID7574897
Molecular FormulaC16H15ClN6O2S
Molecular Weight390.86 g/mol
Exact Mass390.07
IUPAC NameN-(6-chloropyridazin-3-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzenesulfonamide
SMILESCc1cc(C)nc(Nc2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)n1
InChIInChI=1S/C16H15ClN6O2S/c1-10-9-11(2)19-16(18-10)20-12-3-5-13(6-4-12)26(24,25)23-15-8-7-14(17)21-22-15/h3-9H,1-2H3,(H,22,23)(H,18,19,20)
InChIKeyGAYYNHUUQGUREA-UHFFFAOYSA-N
XLogP3.08
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.86
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-dichloro-N-(6-chloropyridazin-3-yl)benzenesulfonamide
CID 113235700
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525778
4-chloro-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113045875
4-chloro-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide
CID 27478598
4-methoxy-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide
CID 27478634
7-chloro-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 84569209
4-chloro-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzenesulfonamide
CID 113048349
4-[[4-chloro-2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrol-3-yl]amino]-N-(6-chloropyridazin-3-yl)benzenesulfonamide
CID 6405701
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 113047802
2,5-dichloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1010695
4-fluoro-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]benzenesulfonamide
CID 27505841
4-chloro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 27478593

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-3-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzenesulfonamide?
The IUPAC name of N-(6-chloropyridazin-3-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzenesulfonamide (CID 7574897) is N-(6-chloropyridazin-3-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for N-(6-chloropyridazin-3-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzenesulfonamide?
The canonical SMILES for N-(6-chloropyridazin-3-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzenesulfonamide is Cc1cc(C)nc(Nc2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)n1.
What is the InChIKey of N-(6-chloropyridazin-3-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzenesulfonamide?
The InChIKey is GAYYNHUUQGUREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6O2S/c1-10-9-11(2)19-16(18-10)20-12-3-5-13(6-4-12)26(24,25)23-15-8-7-14(17)21-22-15/h3-9H,1-2H3,(H,22,23)(H,18,19,20).
What are the key properties of N-(6-chloropyridazin-3-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzenesulfonamide?
N-(6-chloropyridazin-3-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzenesulfonamide has a molecular weight of 390.86 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyridazin-3-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 7574897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).