2-chloro-N-(4-chlorophenyl)-4-fluoro-5-[1-methyl-4-oxo-6-(trifluoromethyl)pyridazin-3-yl]benzenesulfonamide

C18H11Cl2F4N3O3S — CID 145267136

IUPAC2-chloro-N-(4-chlorophenyl)-4-fluoro-5-[1-methyl-4-oxo-6-(trifluoromethyl)pyridazin-3-yl]benzenesulfonamide
SMILESCn1nc(-c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)c(Cl)cc2F)c(=O)cc1C(F)(F)F
InChIInChI=1S/C18H11Cl2F4N3O3S/c1-27-16(18(22,23)24)8-14(28)17(25-27)11-6-15(12(20)7-13(11)21)31(29,30)26-10-4-2-9(19)3-5-10/h2-8,26H,1H3
InChIKeyWYNFNSUEAOKTTP-UHFFFAOYSA-N
MW496.27 g/mol
LogP4.71
Rot. Bonds4

About 2-chloro-N-(4-chlorophenyl)-4-fluoro-5-[1-methyl-4-oxo-6-(trifluoromethyl)pyridazin-3-yl]benzenesulfonamide

2-chloro-N-(4-chlorophenyl)-4-fluoro-5-[1-methyl-4-oxo-6-(trifluoromethyl)pyridazin-3-yl]benzenesulfonamide (PubChem CID 145267136) has the molecular formula C18H11Cl2F4N3O3S and a molecular weight of 496.27 g/mol. Its IUPAC name is 2-chloro-N-(4-chlorophenyl)-4-fluoro-5-[1-methyl-4-oxo-6-(trifluoromethyl)pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-chlorophenyl)-4-fluoro-5-[1-methyl-4-oxo-6-(trifluoromethyl)pyridazin-3-yl]benzenesulfonamide
PubChem CID145267136
Molecular FormulaC18H11Cl2F4N3O3S
Molecular Weight496.27 g/mol
Exact Mass494.98
IUPAC Name2-chloro-N-(4-chlorophenyl)-4-fluoro-5-[1-methyl-4-oxo-6-(trifluoromethyl)pyridazin-3-yl]benzenesulfonamide
SMILESCn1nc(-c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)c(Cl)cc2F)c(=O)cc1C(F)(F)F
InChIInChI=1S/C18H11Cl2F4N3O3S/c1-27-16(18(22,23)24)8-14(28)17(25-27)11-6-15(12(20)7-13(11)21)31(29,30)26-10-4-2-9(19)3-5-10/h2-8,26H,1H3
InChIKeyWYNFNSUEAOKTTP-UHFFFAOYSA-N
XLogP4.71
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.27
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-ethyl-4-fluoro-5-[1-methyl-4-oxo-6-(trifluoromethyl)pyridazin-3-yl]-N-phenylbenzenesulfonamide
CID 145266802
2,4-dichloro-5-[1-methyl-4-oxo-6-(trifluoromethyl)pyridazin-3-yl]benzenesulfonyl chloride
CID 145267104
N-[2-chloro-4-fluoro-5-[1-methyl-4-oxo-6-(trifluoromethyl)pyridazin-3-yl]phenyl]acetamide
CID 145266827
N-[2-chloro-4-fluoro-5-[1-methyl-4-oxo-6-(trifluoromethyl)pyridazin-3-yl]phenyl]formamide
CID 145266832
2-chloro-4-fluoro-5-[1-methyl-4-oxo-6-(trifluoromethyl)pyridazin-3-yl]benzoyl chloride
CID 145267038
2-chloro-4-fluoro-5-[1-methyl-4-oxo-6-(trifluoromethyl)pyridazin-3-yl]benzoic acid
CID 145267044
methyl 2-[2-chloro-4-fluoro-5-[1-methyl-4-oxo-6-(trifluoromethyl)pyridazin-3-yl]phenoxy]acetate
CID 145267015
ethyl 2-chloro-4-fluoro-5-[1-methyl-4-oxo-6-(trifluoromethyl)pyridazin-3-yl]benzoate
CID 145266926
N-[4-fluoro-2-methyl-5-[1-methyl-4-oxo-6-(trifluoromethyl)pyridazin-3-yl]phenyl]acetamide
CID 147441614
3-(2-fluoro-4-methoxyphenyl)-1-methyl-6-(trifluoromethyl)pyridazin-4-one
CID 145267088
6-fluoro-3-methyl-5-[1-methyl-4-oxo-6-(trifluoromethyl)pyridazin-3-yl]-1,3-benzothiazol-2-one
CID 145267101
2-chloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 41247209

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chlorophenyl)-4-fluoro-5-[1-methyl-4-oxo-6-(trifluoromethyl)pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-(4-chlorophenyl)-4-fluoro-5-[1-methyl-4-oxo-6-(trifluoromethyl)pyridazin-3-yl]benzenesulfonamide (CID 145267136) is 2-chloro-N-(4-chlorophenyl)-4-fluoro-5-[1-methyl-4-oxo-6-(trifluoromethyl)pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(4-chlorophenyl)-4-fluoro-5-[1-methyl-4-oxo-6-(trifluoromethyl)pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(4-chlorophenyl)-4-fluoro-5-[1-methyl-4-oxo-6-(trifluoromethyl)pyridazin-3-yl]benzenesulfonamide is Cn1nc(-c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)c(Cl)cc2F)c(=O)cc1C(F)(F)F.
What is the InChIKey of 2-chloro-N-(4-chlorophenyl)-4-fluoro-5-[1-methyl-4-oxo-6-(trifluoromethyl)pyridazin-3-yl]benzenesulfonamide?
The InChIKey is WYNFNSUEAOKTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2F4N3O3S/c1-27-16(18(22,23)24)8-14(28)17(25-27)11-6-15(12(20)7-13(11)21)31(29,30)26-10-4-2-9(19)3-5-10/h2-8,26H,1H3.
What are the key properties of 2-chloro-N-(4-chlorophenyl)-4-fluoro-5-[1-methyl-4-oxo-6-(trifluoromethyl)pyridazin-3-yl]benzenesulfonamide?
2-chloro-N-(4-chlorophenyl)-4-fluoro-5-[1-methyl-4-oxo-6-(trifluoromethyl)pyridazin-3-yl]benzenesulfonamide has a molecular weight of 496.27 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chlorophenyl)-4-fluoro-5-[1-methyl-4-oxo-6-(trifluoromethyl)pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 145267136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).