2-chloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide

C19H15ClF3N3O4S2 — CID 41159278

IUPAC2-chloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESCCS(=O)(=O)c1ccc(-c2cccc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)c2)nn1
InChIInChI=1S/C19H15ClF3N3O4S2/c1-2-31(27,28)18-9-8-16(24-25-18)12-4-3-5-14(10-12)26-32(29,30)17-11-13(19(21,22)23)6-7-15(17)20/h3-11,26H,2H2,1H3
InChIKeyZBKZHORGHIHKAX-UHFFFAOYSA-N
MW505.93 g/mol
LogP4.41
Rot. Bonds6

About 2-chloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide

2-chloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 41159278) has the molecular formula C19H15ClF3N3O4S2 and a molecular weight of 505.93 g/mol. Its IUPAC name is 2-chloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
PubChem CID41159278
Molecular FormulaC19H15ClF3N3O4S2
Molecular Weight505.93 g/mol
Exact Mass505.01
IUPAC Name2-chloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESCCS(=O)(=O)c1ccc(-c2cccc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)c2)nn1
InChIInChI=1S/C19H15ClF3N3O4S2/c1-2-31(27,28)18-9-8-16(24-25-18)12-4-3-5-14(10-12)26-32(29,30)17-11-13(19(21,22)23)6-7-15(17)20/h3-11,26H,2H2,1H3
InChIKeyZBKZHORGHIHKAX-UHFFFAOYSA-N
XLogP4.41
TPSA106.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.93
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dichloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 41159256
2-chloro-N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 43985827
2-chloro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 22576015
2-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 8823439
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 41159293
N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 18569043
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzenesulfonamide
CID 41159266
2,5-dichloro-N-[3-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 43985767
3,4-dichloro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 18569022
5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzene-1,3-dicarboxamide
CID 2101092
2-chloro-N-(3,5-difluorophenyl)-5-(trifluoromethyl)benzenesulfonamide
CID 35955999
3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 24602856

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide (CID 41159278) is 2-chloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide is CCS(=O)(=O)c1ccc(-c2cccc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)c2)nn1.
What is the InChIKey of 2-chloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ZBKZHORGHIHKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O4S2/c1-2-31(27,28)18-9-8-16(24-25-18)12-4-3-5-14(10-12)26-32(29,30)17-11-13(19(21,22)23)6-7-15(17)20/h3-11,26H,2H2,1H3.
What are the key properties of 2-chloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 505.93 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 41159278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).