4-(4-chlorophenoxy)-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide

C15H9ClF2N2O3S2 — CID 141418403

IUPAC4-(4-chlorophenoxy)-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cscn1)c1cc(F)c(Oc2ccc(Cl)cc2)cc1F
InChIInChI=1S/C15H9ClF2N2O3S2/c16-9-1-3-10(4-2-9)23-13-5-12(18)14(6-11(13)17)25(21,22)20-15-7-24-8-19-15/h1-8,20H
InChIKeyXLJXNGQZSJDIQC-UHFFFAOYSA-N
MW402.83 g/mol
LogP4.67
Rot. Bonds5

About 4-(4-chlorophenoxy)-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide

4-(4-chlorophenoxy)-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide (PubChem CID 141418403) has the molecular formula C15H9ClF2N2O3S2 and a molecular weight of 402.83 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
PubChem CID141418403
Molecular FormulaC15H9ClF2N2O3S2
Molecular Weight402.83 g/mol
Exact Mass401.97
IUPAC Name4-(4-chlorophenoxy)-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cscn1)c1cc(F)c(Oc2ccc(Cl)cc2)cc1F
InChIInChI=1S/C15H9ClF2N2O3S2/c16-9-1-3-10(4-2-9)23-13-5-12(18)14(6-11(13)17)25(21,22)20-15-7-24-8-19-15/h1-8,20H
InChIKeyXLJXNGQZSJDIQC-UHFFFAOYSA-N
XLogP4.67
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.83
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-chlorophenoxy)-2,5-difluoro-N-(1,3-thiazol-4-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

Related Compounds

4-[4-chloro-2-[3-(2,2-dihydroxyethylamino)propyl]phenoxy]-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 146254745
5-chloro-2-fluoro-4-[3-(2-fluorophenyl)propoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 175233055
2,4-difluoro-5-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 118121063
5-chloro-2-fluoro-4-[2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 71717478
5-chloro-2-fluoro-4-[[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-yl]methoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 145406505
5-chloro-2-fluoro-4-[[(1S)-1-[2-fluoro-5-(oxetan-3-yloxy)phenyl]ethyl]amino]-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 134585354
4-[[4-chloro-2-[2-(ethylamino)ethylamino]phenyl]methylamino]-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 146493177
4-[[6-amino-2-(3-chlorophenyl)cyclohex-2-en-1-yl]methoxy]-5-chloro-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 145406769
5-chloro-2-fluoro-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 175106146
5-chloro-4-[[(1S)-1-(3,5-difluorophenyl)ethyl]amino]-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 134585563
2,5-difluoro-4-[[(1R,6R)-2-(4-fluorophenyl)-6-(methylamino)cyclohex-2-en-1-yl]methoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 145406295
4-(4-chloro-2-pyridin-4-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 141441697

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-(4-chlorophenoxy)-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide (CID 141418403) is 4-(4-chlorophenoxy)-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-(4-chlorophenoxy)-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-(4-chlorophenoxy)-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide is O=S(=O)(Nc1cscn1)c1cc(F)c(Oc2ccc(Cl)cc2)cc1F.
What is the InChIKey of 4-(4-chlorophenoxy)-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide?
The InChIKey is XLJXNGQZSJDIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N2O3S2/c16-9-1-3-10(4-2-9)23-13-5-12(18)14(6-11(13)17)25(21,22)20-15-7-24-8-19-15/h1-8,20H.
What are the key properties of 4-(4-chlorophenoxy)-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide?
4-(4-chlorophenoxy)-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide has a molecular weight of 402.83 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 141418403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).