N-[2-(4-cyano-3-fluorophenyl)-3-pyridinyl]-4-(trifluoromethoxy)benzenesulfonamide

C19H11F4N3O3S — CID 154631933

IUPACN-[2-(4-cyano-3-fluorophenyl)-3-pyridinyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESN#Cc1ccc(-c2ncccc2NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1F
InChIInChI=1S/C19H11F4N3O3S/c20-16-10-12(3-4-13(16)11-24)18-17(2-1-9-25-18)26-30(27,28)15-7-5-14(6-8-15)29-19(21,22)23/h1-10,26H
InChIKeyLRHSZEHYMHPIMC-UHFFFAOYSA-N
MW437.37 g/mol
LogP4.46
Rot. Bonds5

About N-[2-(4-cyano-3-fluorophenyl)-3-pyridinyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[2-(4-cyano-3-fluorophenyl)-3-pyridinyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 154631933) has the molecular formula C19H11F4N3O3S and a molecular weight of 437.37 g/mol. Its IUPAC name is N-[2-(4-cyano-3-fluorophenyl)-3-pyridinyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-cyano-3-fluorophenyl)-3-pyridinyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID154631933
Molecular FormulaC19H11F4N3O3S
Molecular Weight437.37 g/mol
Exact Mass437.05
IUPAC NameN-[2-(4-cyano-3-fluorophenyl)-3-pyridinyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESN#Cc1ccc(-c2ncccc2NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1F
InChIInChI=1S/C19H11F4N3O3S/c20-16-10-12(3-4-13(16)11-24)18-17(2-1-9-25-18)26-30(27,28)15-7-5-14(6-8-15)29-19(21,22)23/h1-10,26H
InChIKeyLRHSZEHYMHPIMC-UHFFFAOYSA-N
XLogP4.46
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.37
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-cyano-3-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide
CID 122184518
2-fluoro-4-(trifluoromethoxy)benzonitrile
CID 66523443
4-methoxy-N-(2-phenyl-3-pyridinyl)benzenesulfonamide
CID 154631921
N-(2-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 26952500
4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3813923
N-(2-fluoro-4-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3807348
N-[4-(2,3-dichlorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 142178347
N-(2,4,5-trichlorophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154276
2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzonitrile
CID 134628099
N-(5-fluoro-2-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 169422831
N-(4-bromo-2,6-difluorophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 21065087
N-(5,6-difluoro-1H-indol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 154653153

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyano-3-fluorophenyl)-3-pyridinyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[2-(4-cyano-3-fluorophenyl)-3-pyridinyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 154631933) is N-[2-(4-cyano-3-fluorophenyl)-3-pyridinyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[2-(4-cyano-3-fluorophenyl)-3-pyridinyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[2-(4-cyano-3-fluorophenyl)-3-pyridinyl]-4-(trifluoromethoxy)benzenesulfonamide is N#Cc1ccc(-c2ncccc2NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1F.
What is the InChIKey of N-[2-(4-cyano-3-fluorophenyl)-3-pyridinyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is LRHSZEHYMHPIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F4N3O3S/c20-16-10-12(3-4-13(16)11-24)18-17(2-1-9-25-18)26-30(27,28)15-7-5-14(6-8-15)29-19(21,22)23/h1-10,26H.
What are the key properties of N-[2-(4-cyano-3-fluorophenyl)-3-pyridinyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[2-(4-cyano-3-fluorophenyl)-3-pyridinyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 437.37 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyano-3-fluorophenyl)-3-pyridinyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 154631933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).