4-(4-cyanophenyl)-N-(1,5-naphthyridin-2-yl)benzenesulfonamide

C21H14N4O2S — CID 71579867

IUPAC4-(4-cyanophenyl)-N-(1,5-naphthyridin-2-yl)benzenesulfonamide
SMILESN#Cc1ccc(-c2ccc(S(=O)(=O)Nc3ccc4ncccc4n3)cc2)cc1
InChIInChI=1S/C21H14N4O2S/c22-14-15-3-5-16(6-4-15)17-7-9-18(10-8-17)28(26,27)25-21-12-11-19-20(24-21)2-1-13-23-19/h1-13H,(H,24,25)
InChIKeyYRGNSWPETKWGFR-UHFFFAOYSA-N
MW386.44 g/mol
LogP3.97
Rot. Bonds4

About 4-(4-cyanophenyl)-N-(1,5-naphthyridin-2-yl)benzenesulfonamide

4-(4-cyanophenyl)-N-(1,5-naphthyridin-2-yl)benzenesulfonamide (PubChem CID 71579867) has the molecular formula C21H14N4O2S and a molecular weight of 386.44 g/mol. Its IUPAC name is 4-(4-cyanophenyl)-N-(1,5-naphthyridin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-cyanophenyl)-N-(1,5-naphthyridin-2-yl)benzenesulfonamide
PubChem CID71579867
Molecular FormulaC21H14N4O2S
Molecular Weight386.44 g/mol
Exact Mass386.08
IUPAC Name4-(4-cyanophenyl)-N-(1,5-naphthyridin-2-yl)benzenesulfonamide
SMILESN#Cc1ccc(-c2ccc(S(=O)(=O)Nc3ccc4ncccc4n3)cc2)cc1
InChIInChI=1S/C21H14N4O2S/c22-14-15-3-5-16(6-4-15)17-7-9-18(10-8-17)28(26,27)25-21-12-11-19-20(24-21)2-1-13-23-19/h1-13H,(H,24,25)
InChIKeyYRGNSWPETKWGFR-UHFFFAOYSA-N
XLogP3.97
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-cyanophenyl)-N-(1,5-naphthyridin-2-yl)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 4-(4-cyanophenyl)-N-(1,5-naphthyridin-2-yl)benzenesulfonamide?
The IUPAC name of 4-(4-cyanophenyl)-N-(1,5-naphthyridin-2-yl)benzenesulfonamide (CID 71579867) is 4-(4-cyanophenyl)-N-(1,5-naphthyridin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(4-cyanophenyl)-N-(1,5-naphthyridin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(4-cyanophenyl)-N-(1,5-naphthyridin-2-yl)benzenesulfonamide is N#Cc1ccc(-c2ccc(S(=O)(=O)Nc3ccc4ncccc4n3)cc2)cc1.
What is the InChIKey of 4-(4-cyanophenyl)-N-(1,5-naphthyridin-2-yl)benzenesulfonamide?
The InChIKey is YRGNSWPETKWGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O2S/c22-14-15-3-5-16(6-4-15)17-7-9-18(10-8-17)28(26,27)25-21-12-11-19-20(24-21)2-1-13-23-19/h1-13H,(H,24,25).
What are the key properties of 4-(4-cyanophenyl)-N-(1,5-naphthyridin-2-yl)benzenesulfonamide?
4-(4-cyanophenyl)-N-(1,5-naphthyridin-2-yl)benzenesulfonamide has a molecular weight of 386.44 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenyl)-N-(1,5-naphthyridin-2-yl)benzenesulfonamide is sourced from PubChem (CID 71579867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).