3-fluoro-4-methoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide

C19H19FN2O3S2 — CID 7202333

IUPAC3-fluoro-4-methoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2sc(-c3ccccc3)nc2C)cc1F
InChIInChI=1S/C19H19FN2O3S2/c1-13-18(26-19(22-13)14-6-4-3-5-7-14)10-11-21-27(23,24)15-8-9-17(25-2)16(20)12-15/h3-9,12,21H,10-11H2,1-2H3
InChIKeyCBSXPFMZRJQCHV-UHFFFAOYSA-N
MW406.50 g/mol
LogP3.79
Rot. Bonds7

About 3-fluoro-4-methoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide

3-fluoro-4-methoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 7202333) has the molecular formula C19H19FN2O3S2 and a molecular weight of 406.50 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
PubChem CID7202333
Molecular FormulaC19H19FN2O3S2
Molecular Weight406.50 g/mol
Exact Mass406.08
IUPAC Name3-fluoro-4-methoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2sc(-c3ccccc3)nc2C)cc1F
InChIInChI=1S/C19H19FN2O3S2/c1-13-18(26-19(22-13)14-6-4-3-5-7-14)10-11-21-27(23,24)15-8-9-17(25-2)16(20)12-15/h3-9,12,21H,10-11H2,1-2H3
InChIKeyCBSXPFMZRJQCHV-UHFFFAOYSA-N
XLogP3.79
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-4-methoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide 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

2-Aminomethyl-4,5-bis(4-methoxyphenyl)thiazole
CID 9973662
4-(4-Fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(4-methoxyphenyl)thiazole
CID 22911832
4-[4-(3-Fluoro-4-methoxy-phenyl)-2-methyl-thiazol-5-yl]-benzenesulfonamide
CID 44271374
2-[4-[(4-Methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenyl]sulfonylacetic acid
CID 145965467
2-[4-[[2-(4-Fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methoxy]phenyl]sulfonylacetic acid
CID 145965707
2-[4-[[2-(2-Fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methoxy]phenyl]sulfonylacetic acid
CID 145976608
2,5-dimethoxy-N-((2-phenylthiazol-4-yl)methyl)benzenesulfonamide
CID 3244156
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoro-4-methoxybenzene-1-sulfonamide
CID 7202322
3,4-Dimethoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-YL)ethyl]benzene-1-sulfonamide
CID 7202338
N-{2-[2-(4-Fluorophenyl)-1,3-thiazol-4-YL]ethyl}-4-methoxybenzene-1-sulfonamide
CID 7522037
3-Fluoro-N-{2-[2-(4-fluorophenyl)-1,3-thiazol-4-YL]ethyl}-4-methoxybenzene-1-sulfonamide
CID 7522047
3,4-dimethoxy-N-[[2-(4-methoxyphenyl)-4-thiazolyl]methyl]benzenesulfonamide
CID 9550483

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide (CID 7202333) is 3-fluoro-4-methoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2sc(-c3ccccc3)nc2C)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is CBSXPFMZRJQCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3S2/c1-13-18(26-19(22-13)14-6-4-3-5-7-14)10-11-21-27(23,24)15-8-9-17(25-2)16(20)12-15/h3-9,12,21H,10-11H2,1-2H3.
What are the key properties of 3-fluoro-4-methoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
3-fluoro-4-methoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 406.50 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 7202333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).