N-[5-cyano-2-(4-fluorophenyl)-6-[(4-fluorophenyl)methoxy]-3-pyridinyl]benzenesulfonamide

C25H17F2N3O3S — CID 23217893

IUPACN-[5-cyano-2-(4-fluorophenyl)-6-[(4-fluorophenyl)methoxy]-3-pyridinyl]benzenesulfonamide
SMILESN#Cc1cc(NS(=O)(=O)c2ccccc2)c(-c2ccc(F)cc2)nc1OCc1ccc(F)cc1
InChIInChI=1S/C25H17F2N3O3S/c26-20-10-6-17(7-11-20)16-33-25-19(15-28)14-23(24(29-25)18-8-12-21(27)13-9-18)30-34(31,32)22-4-2-1-3-5-22/h1-14,30H,16H2
InChIKeyKOFZDBJUOVEFQU-UHFFFAOYSA-N
MW477.49 g/mol
LogP5.28
Rot. Bonds7

About N-[5-cyano-2-(4-fluorophenyl)-6-[(4-fluorophenyl)methoxy]-3-pyridinyl]benzenesulfonamide

N-[5-cyano-2-(4-fluorophenyl)-6-[(4-fluorophenyl)methoxy]-3-pyridinyl]benzenesulfonamide (PubChem CID 23217893) has the molecular formula C25H17F2N3O3S and a molecular weight of 477.49 g/mol. Its IUPAC name is N-[5-cyano-2-(4-fluorophenyl)-6-[(4-fluorophenyl)methoxy]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-cyano-2-(4-fluorophenyl)-6-[(4-fluorophenyl)methoxy]-3-pyridinyl]benzenesulfonamide
PubChem CID23217893
Molecular FormulaC25H17F2N3O3S
Molecular Weight477.49 g/mol
Exact Mass477.10
IUPAC NameN-[5-cyano-2-(4-fluorophenyl)-6-[(4-fluorophenyl)methoxy]-3-pyridinyl]benzenesulfonamide
SMILESN#Cc1cc(NS(=O)(=O)c2ccccc2)c(-c2ccc(F)cc2)nc1OCc1ccc(F)cc1
InChIInChI=1S/C25H17F2N3O3S/c26-20-10-6-17(7-11-20)16-33-25-19(15-28)14-23(24(29-25)18-8-12-21(27)13-9-18)30-34(31,32)22-4-2-1-3-5-22/h1-14,30H,16H2
InChIKeyKOFZDBJUOVEFQU-UHFFFAOYSA-N
XLogP5.28
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.49
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-2-(4-fluorophenyl)-6-[(4-fluorophenyl)methoxy]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-cyano-2-(4-fluorophenyl)-6-[(4-fluorophenyl)methoxy]-3-pyridinyl]benzenesulfonamide (CID 23217893) is N-[5-cyano-2-(4-fluorophenyl)-6-[(4-fluorophenyl)methoxy]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-cyano-2-(4-fluorophenyl)-6-[(4-fluorophenyl)methoxy]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-cyano-2-(4-fluorophenyl)-6-[(4-fluorophenyl)methoxy]-3-pyridinyl]benzenesulfonamide is N#Cc1cc(NS(=O)(=O)c2ccccc2)c(-c2ccc(F)cc2)nc1OCc1ccc(F)cc1.
What is the InChIKey of N-[5-cyano-2-(4-fluorophenyl)-6-[(4-fluorophenyl)methoxy]-3-pyridinyl]benzenesulfonamide?
The InChIKey is KOFZDBJUOVEFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F2N3O3S/c26-20-10-6-17(7-11-20)16-33-25-19(15-28)14-23(24(29-25)18-8-12-21(27)13-9-18)30-34(31,32)22-4-2-1-3-5-22/h1-14,30H,16H2.
What are the key properties of N-[5-cyano-2-(4-fluorophenyl)-6-[(4-fluorophenyl)methoxy]-3-pyridinyl]benzenesulfonamide?
N-[5-cyano-2-(4-fluorophenyl)-6-[(4-fluorophenyl)methoxy]-3-pyridinyl]benzenesulfonamide has a molecular weight of 477.49 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-2-(4-fluorophenyl)-6-[(4-fluorophenyl)methoxy]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 23217893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).