3-cyano-4-(2-cyanophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide;formic acid

C20H13FN4O5S — CID 86291972

IUPAC3-cyano-4-(2-cyanophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide;formic acid
SMILESN#Cc1ccccc1Oc1ccc(S(=O)(=O)Nc2ccc(F)cn2)cc1C#N.O=CO
InChIInChI=1S/C19H11FN4O3S.CH2O2/c20-15-5-8-19(23-12-15)24-28(25,26)16-6-7-18(14(9-16)11-22)27-17-4-2-1-3-13(17)10-21;2-1-3/h1-9,12H,(H,23,24);1H,(H,2,3)
InChIKeyORWTXFYOPVNNII-UHFFFAOYSA-N
MW440.41 g/mol
LogP3.26
Rot. Bonds5

About 3-cyano-4-(2-cyanophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide;formic acid

3-cyano-4-(2-cyanophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide;formic acid (PubChem CID 86291972) has the molecular formula C20H13FN4O5S and a molecular weight of 440.41 g/mol. Its IUPAC name is 3-cyano-4-(2-cyanophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide;formic acid.

Molecular Properties

Compound Name3-cyano-4-(2-cyanophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide;formic acid
PubChem CID86291972
Molecular FormulaC20H13FN4O5S
Molecular Weight440.41 g/mol
Exact Mass440.06
IUPAC Name3-cyano-4-(2-cyanophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide;formic acid
SMILESN#Cc1ccccc1Oc1ccc(S(=O)(=O)Nc2ccc(F)cn2)cc1C#N.O=CO
InChIInChI=1S/C19H11FN4O3S.CH2O2/c20-15-5-8-19(23-12-15)24-28(25,26)16-6-7-18(14(9-16)11-22)27-17-4-2-1-3-13(17)10-21;2-1-3/h1-9,12H,(H,23,24);1H,(H,2,3)
InChIKeyORWTXFYOPVNNII-UHFFFAOYSA-N
XLogP3.26
TPSA153.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.41
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-cyano-4-(2-cyanophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide;formic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyano-4-(2-fluorophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 118009901
3-cyano-N-(5-fluoro-2-pyridinyl)-4-(2,4,5-trifluorophenoxy)benzenesulfonamide
CID 118009963
3-cyano-4-(2,3-difluoro-4-methylphenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 118009961
3-cyano-4-(2,5-dimethylphenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 118009981
3-cyano-4-(2-fluoro-5-methoxyphenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 118009989
3-cyano-4-(3-ethoxyphenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 118009967
3-cyano-N-(5-fluoro-2-pyridinyl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 86292161
3-cyano-N-(5-fluoro-2-pyridinyl)-4-(3-propan-2-ylphenoxy)benzenesulfonamide
CID 118009915
4-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 118009965
3-cyano-N-(5-fluoro-2-pyridinyl)-4-(3-methoxy-4-pyrazol-1-ylphenoxy)benzenesulfonamide
CID 71716914
3-cyano-N-(5-fluoro-2-pyridinyl)-4-[2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 71720610
3-cyano-4-(2-phenylphenoxy)-N-[6-(trifluoromethyl)pyrimidin-4-yl]benzenesulfonamide
CID 71720578

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-(2-cyanophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide;formic acid?
The IUPAC name of 3-cyano-4-(2-cyanophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide;formic acid (CID 86291972) is 3-cyano-4-(2-cyanophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide;formic acid.
What is the SMILES notation for 3-cyano-4-(2-cyanophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide;formic acid?
The canonical SMILES for 3-cyano-4-(2-cyanophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide;formic acid is N#Cc1ccccc1Oc1ccc(S(=O)(=O)Nc2ccc(F)cn2)cc1C#N.O=CO.
What is the InChIKey of 3-cyano-4-(2-cyanophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide;formic acid?
The InChIKey is ORWTXFYOPVNNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FN4O3S.CH2O2/c20-15-5-8-19(23-12-15)24-28(25,26)16-6-7-18(14(9-16)11-22)27-17-4-2-1-3-13(17)10-21;2-1-3/h1-9,12H,(H,23,24);1H,(H,2,3).
What are the key properties of 3-cyano-4-(2-cyanophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide;formic acid?
3-cyano-4-(2-cyanophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide;formic acid has a molecular weight of 440.41 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-(2-cyanophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide;formic acid is sourced from PubChem (CID 86291972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).