N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide

C21H15FN2O2S2 — CID 90626948

IUPACN-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1ccccc1
InChIInChI=1S/C21H15FN2O2S2/c22-18-12-6-4-10-16(18)21-23-20(14-27-21)17-11-5-7-13-19(17)24-28(25,26)15-8-2-1-3-9-15/h1-14,24H
InChIKeyDKHNAJGOJPGQOQ-UHFFFAOYSA-N
MW410.50 g/mol
LogP5.42
Rot. Bonds5

About N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide

N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide (PubChem CID 90626948) has the molecular formula C21H15FN2O2S2 and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
PubChem CID90626948
Molecular FormulaC21H15FN2O2S2
Molecular Weight410.50 g/mol
Exact Mass410.06
IUPAC NameN-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1ccccc1
InChIInChI=1S/C21H15FN2O2S2/c22-18-12-6-4-10-16(18)21-23-20(14-27-21)17-11-5-7-13-19(17)24-28(25,26)15-8-2-1-3-9-15/h1-14,24H
InChIKeyDKHNAJGOJPGQOQ-UHFFFAOYSA-N
XLogP5.42
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.50
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]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 N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide?
The IUPAC name of N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide (CID 90626948) is N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide is O=S(=O)(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1ccccc1.
What is the InChIKey of N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide?
The InChIKey is DKHNAJGOJPGQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O2S2/c22-18-12-6-4-10-16(18)21-23-20(14-27-21)17-11-5-7-13-19(17)24-28(25,26)15-8-2-1-3-9-15/h1-14,24H.
What are the key properties of N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide?
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide has a molecular weight of 410.50 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 90626948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).