2-chloro-6-fluoro-N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide

C17H11ClF2N4O2S2 — CID 23936093

IUPAC2-chloro-6-fluoro-N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(CSc1nnc(NC(=O)c2c(F)cccc2Cl)s1)Nc1ccccc1F
InChIInChI=1S/C17H11ClF2N4O2S2/c18-9-4-3-6-11(20)14(9)15(26)22-16-23-24-17(28-16)27-8-13(25)21-12-7-2-1-5-10(12)19/h1-7H,8H2,(H,21,25)(H,22,23,26)
InChIKeyWLLHYXJPKIZOGZ-UHFFFAOYSA-N
MW440.88 g/mol
LogP4.45
Rot. Bonds6

About 2-chloro-6-fluoro-N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide

2-chloro-6-fluoro-N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 23936093) has the molecular formula C17H11ClF2N4O2S2 and a molecular weight of 440.88 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID23936093
Molecular FormulaC17H11ClF2N4O2S2
Molecular Weight440.88 g/mol
Exact Mass440.00
IUPAC Name2-chloro-6-fluoro-N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(CSc1nnc(NC(=O)c2c(F)cccc2Cl)s1)Nc1ccccc1F
InChIInChI=1S/C17H11ClF2N4O2S2/c18-9-4-3-6-11(20)14(9)15(26)22-16-23-24-17(28-16)27-8-13(25)21-12-7-2-1-5-10(12)19/h1-7H,8H2,(H,21,25)(H,22,23,26)
InChIKeyWLLHYXJPKIZOGZ-UHFFFAOYSA-N
XLogP4.45
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.88
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Analyze 2-chloro-6-fluoro-N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide 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 2-chloro-6-fluoro-N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide (CID 23936093) is 2-chloro-6-fluoro-N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide is O=C(CSc1nnc(NC(=O)c2c(F)cccc2Cl)s1)Nc1ccccc1F.
What is the InChIKey of 2-chloro-6-fluoro-N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is WLLHYXJPKIZOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N4O2S2/c18-9-4-3-6-11(20)14(9)15(26)22-16-23-24-17(28-16)27-8-13(25)21-12-7-2-1-5-10(12)19/h1-7H,8H2,(H,21,25)(H,22,23,26).
What are the key properties of 2-chloro-6-fluoro-N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide?
2-chloro-6-fluoro-N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 440.88 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 23936093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).