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

C18H11F2N3O2S — CID 23218003

IUPACN-[5-cyano-6-fluoro-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide
SMILESN#Cc1cc(NS(=O)(=O)c2ccccc2)c(-c2ccc(F)cc2)nc1F
InChIInChI=1S/C18H11F2N3O2S/c19-14-8-6-12(7-9-14)17-16(10-13(11-21)18(20)22-17)23-26(24,25)15-4-2-1-3-5-15/h1-10,23H
InChIKeyZFYZGAXHCNNZPI-UHFFFAOYSA-N
MW371.37 g/mol
LogP3.70
Rot. Bonds4

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

N-[5-cyano-6-fluoro-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide (PubChem CID 23218003) has the molecular formula C18H11F2N3O2S and a molecular weight of 371.37 g/mol. Its IUPAC name is N-[5-cyano-6-fluoro-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-cyano-6-fluoro-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide
PubChem CID23218003
Molecular FormulaC18H11F2N3O2S
Molecular Weight371.37 g/mol
Exact Mass371.05
IUPAC NameN-[5-cyano-6-fluoro-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide
SMILESN#Cc1cc(NS(=O)(=O)c2ccccc2)c(-c2ccc(F)cc2)nc1F
InChIInChI=1S/C18H11F2N3O2S/c19-14-8-6-12(7-9-14)17-16(10-13(11-21)18(20)22-17)23-26(24,25)15-4-2-1-3-5-15/h1-10,23H
InChIKeyZFYZGAXHCNNZPI-UHFFFAOYSA-N
XLogP3.70
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[5-cyano-6-(cyclopropylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide
CID 23217928
N-[5-cyano-6-(cyclopentylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide
CID 23218040
N-[5-cyano-2-(4-fluorophenyl)-6-(furan-3-ylmethylsulfanyl)-3-pyridinyl]benzenesulfonamide
CID 23217962
N-(2-cyanophenyl)benzenesulfonamide
CID 736007
N-[2-(4-cyano-3-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide
CID 122184518
N-[2-(benzenesulfonamido)-4-fluorophenyl]benzenesulfonamide
CID 70139608
N-[6-butoxy-5-cyano-2-(3-methylphenyl)-3-pyridinyl]benzenesulfonamide
CID 23217980
4-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide
CID 146600936
N-(2-amino-4-fluorophenyl)benzenesulfonamide
CID 16778352
N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 6470682
N-(3,4-dicyanophenyl)benzenesulfonamide
CID 113220864
N-(2-cyano-4-fluorophenyl)-1-phenylpyrazole-4-sulfonamide
CID 75522425

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-6-fluoro-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-cyano-6-fluoro-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide (CID 23218003) is N-[5-cyano-6-fluoro-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-cyano-6-fluoro-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-cyano-6-fluoro-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide is N#Cc1cc(NS(=O)(=O)c2ccccc2)c(-c2ccc(F)cc2)nc1F.
What is the InChIKey of N-[5-cyano-6-fluoro-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is ZFYZGAXHCNNZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N3O2S/c19-14-8-6-12(7-9-14)17-16(10-13(11-21)18(20)22-17)23-26(24,25)15-4-2-1-3-5-15/h1-10,23H.
What are the key properties of N-[5-cyano-6-fluoro-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide?
N-[5-cyano-6-fluoro-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 371.37 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-6-fluoro-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 23218003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).