4-[2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]benzenesulfonamide

C17H17FN4O2S2 — CID 70978386

IUPAC4-[2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2nc(Cc3ccc(F)cc3)ns2)cc1
InChIInChI=1S/C17H17FN4O2S2/c18-14-5-1-13(2-6-14)11-16-21-17(25-22-16)20-10-9-12-3-7-15(8-4-12)26(19,23)24/h1-8H,9-11H2,(H2,19,23,24)(H,20,21,22)
InChIKeyWZCUIEOHOPOWIO-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.57
Rot. Bonds7

About 4-[2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]benzenesulfonamide

4-[2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]benzenesulfonamide (PubChem CID 70978386) has the molecular formula C17H17FN4O2S2 and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-[2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]benzenesulfonamide
PubChem CID70978386
Molecular FormulaC17H17FN4O2S2
Molecular Weight392.48 g/mol
Exact Mass392.08
IUPAC Name4-[2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2nc(Cc3ccc(F)cc3)ns2)cc1
InChIInChI=1S/C17H17FN4O2S2/c18-14-5-1-13(2-6-14)11-16-21-17(25-22-16)20-10-9-12-3-7-15(8-4-12)26(19,23)24/h1-8H,9-11H2,(H2,19,23,24)(H,20,21,22)
InChIKeyWZCUIEOHOPOWIO-UHFFFAOYSA-N
XLogP2.57
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]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

N-[2-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 70975288
3-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)-1,2,4-thiadiazol-5-amine
CID 3920694
N-methyl-4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-propan-2-ylbenzenesulfonamide
CID 71996687
5-[4-(Benzenesulfonyl)piperazin-1-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole
CID 3288422
5-[4-(Benzenesulfonyl)-3-methylpiperazin-1-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole
CID 3495664
5-[4-(4-Tert-butylphenyl)sulfonylpiperazin-1-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole
CID 3514187
5-[4-(4-Fluorophenyl)sulfonylpiperazin-1-yl]-3-[(4-methylphenyl)methyl]-1,2,4-thiadiazole
CID 4221295
5-[4-(4-Tert-butylphenyl)sulfonyl-3-methylpiperazin-1-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole
CID 4367517
5-[4-(4-Fluorophenyl)sulfonyl-3-methylpiperazin-1-yl]-3-[(4-methylphenyl)methyl]-1,2,4-thiadiazole
CID 4598508
3-[(4-Fluorophenyl)methyl]-5-[4-(4-fluorophenyl)sulfonyl-3-methylpiperazin-1-yl]-1,2,4-thiadiazole
CID 4663556
3-[(4-Fluorophenyl)methyl]-5-[3-methyl-4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole
CID 24989016
5-[4-(4-Ethylphenyl)sulfonylpiperazin-1-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole
CID 57585421

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]benzenesulfonamide (CID 70978386) is 4-[2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNc2nc(Cc3ccc(F)cc3)ns2)cc1.
What is the InChIKey of 4-[2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is WZCUIEOHOPOWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2S2/c18-14-5-1-13(2-6-14)11-16-21-17(25-22-16)20-10-9-12-3-7-15(8-4-12)26(19,23)24/h1-8H,9-11H2,(H2,19,23,24)(H,20,21,22).
What are the key properties of 4-[2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]benzenesulfonamide?
4-[2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 70978386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).