N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide

C18H14F3N3O4S2 — CID 18569043

IUPACN-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(-c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)nn1
InChIInChI=1S/C18H14F3N3O4S2/c1-29(25,26)17-10-9-16(22-23-17)12-3-2-4-14(11-12)24-30(27,28)15-7-5-13(6-8-15)18(19,20)21/h2-11,24H,1H3
InChIKeyZNESDNSGIDEQCM-UHFFFAOYSA-N
MW457.46 g/mol
LogP3.37
Rot. Bonds5

About N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide

N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 18569043) has the molecular formula C18H14F3N3O4S2 and a molecular weight of 457.46 g/mol. Its IUPAC name is N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID18569043
Molecular FormulaC18H14F3N3O4S2
Molecular Weight457.46 g/mol
Exact Mass457.04
IUPAC NameN-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(-c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)nn1
InChIInChI=1S/C18H14F3N3O4S2/c1-29(25,26)17-10-9-16(22-23-17)12-3-2-4-14(11-12)24-30(27,28)15-7-5-13(6-8-15)18(19,20)21/h2-11,24H,1H3
InChIKeyZNESDNSGIDEQCM-UHFFFAOYSA-N
XLogP3.37
TPSA106.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-acetyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 18569024
3,4-dichloro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 18569022
N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-phenoxybenzenesulfonamide
CID 18569028
3-chloro-4-fluoro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 18569044
N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]methanesulfonamide
CID 26842222
N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 39833676
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzenesulfonamide
CID 41159266
N-(3-methylsulfonylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 8842839
2-chloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 41159278
2,2,2-trifluoro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 18567784
N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 122286129
4-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 8523305

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide (CID 18569043) is N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide is CS(=O)(=O)c1ccc(-c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)nn1.
What is the InChIKey of N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ZNESDNSGIDEQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O4S2/c1-29(25,26)17-10-9-16(22-23-17)12-3-2-4-14(11-12)24-30(27,28)15-7-5-13(6-8-15)18(19,20)21/h2-11,24H,1H3.
What are the key properties of N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 457.46 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 18569043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).