3-cyano-N-(5-fluoropyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide

C23H15FN4O3S — CID 71720580

IUPAC3-cyano-N-(5-fluoropyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ncc(F)cn2)ccc1Oc1ccccc1-c1ccccc1
InChIInChI=1S/C23H15FN4O3S/c24-18-14-26-23(27-15-18)28-32(29,30)19-10-11-21(17(12-19)13-25)31-22-9-5-4-8-20(22)16-6-2-1-3-7-16/h1-12,14-15H,(H,26,27,28)
InChIKeyPFDKZSNWVDKXEA-UHFFFAOYSA-N
MW446.46 g/mol
LogP4.75
Rot. Bonds6

About 3-cyano-N-(5-fluoropyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide

3-cyano-N-(5-fluoropyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide (PubChem CID 71720580) has the molecular formula C23H15FN4O3S and a molecular weight of 446.46 g/mol. Its IUPAC name is 3-cyano-N-(5-fluoropyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(5-fluoropyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide
PubChem CID71720580
Molecular FormulaC23H15FN4O3S
Molecular Weight446.46 g/mol
Exact Mass446.08
IUPAC Name3-cyano-N-(5-fluoropyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ncc(F)cn2)ccc1Oc1ccccc1-c1ccccc1
InChIInChI=1S/C23H15FN4O3S/c24-18-14-26-23(27-15-18)28-32(29,30)19-10-11-21(17(12-19)13-25)31-22-9-5-4-8-20(22)16-6-2-1-3-7-16/h1-12,14-15H,(H,26,27,28)
InChIKeyPFDKZSNWVDKXEA-UHFFFAOYSA-N
XLogP4.75
TPSA104.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-cyano-N-(5-fluoropyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(5-fluoropyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(5-fluoropyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide (CID 71720580) is 3-cyano-N-(5-fluoropyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(5-fluoropyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(5-fluoropyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide is N#Cc1cc(S(=O)(=O)Nc2ncc(F)cn2)ccc1Oc1ccccc1-c1ccccc1.
What is the InChIKey of 3-cyano-N-(5-fluoropyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide?
The InChIKey is PFDKZSNWVDKXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN4O3S/c24-18-14-26-23(27-15-18)28-32(29,30)19-10-11-21(17(12-19)13-25)31-22-9-5-4-8-20(22)16-6-2-1-3-7-16/h1-12,14-15H,(H,26,27,28).
What are the key properties of 3-cyano-N-(5-fluoropyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide?
3-cyano-N-(5-fluoropyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide has a molecular weight of 446.46 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(5-fluoropyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide is sourced from PubChem (CID 71720580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).