3-chloro-N-[3-[(1R)-1-(3-fluorophenoxy)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide

C17H15ClFN3O3S2 — CID 69430429

IUPAC3-chloro-N-[3-[(1R)-1-(3-fluorophenoxy)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nc([C@@H](C)Oc2cccc(F)c2)ns1
InChIInChI=1S/C17H15ClFN3O3S2/c1-10-14(18)7-4-8-15(10)27(23,24)22-17-20-16(21-26-17)11(2)25-13-6-3-5-12(19)9-13/h3-9,11H,1-2H3,(H,20,21,22)/t11-/m1/s1
InChIKeyTVDCADZODJXBTG-LLVKDONJSA-N
MW427.91 g/mol
LogP4.58
Rot. Bonds6

About 3-chloro-N-[3-[(1R)-1-(3-fluorophenoxy)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide

3-chloro-N-[3-[(1R)-1-(3-fluorophenoxy)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide (PubChem CID 69430429) has the molecular formula C17H15ClFN3O3S2 and a molecular weight of 427.91 g/mol. Its IUPAC name is 3-chloro-N-[3-[(1R)-1-(3-fluorophenoxy)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[3-[(1R)-1-(3-fluorophenoxy)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide
PubChem CID69430429
Molecular FormulaC17H15ClFN3O3S2
Molecular Weight427.91 g/mol
Exact Mass427.02
IUPAC Name3-chloro-N-[3-[(1R)-1-(3-fluorophenoxy)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nc([C@@H](C)Oc2cccc(F)c2)ns1
InChIInChI=1S/C17H15ClFN3O3S2/c1-10-14(18)7-4-8-15(10)27(23,24)22-17-20-16(21-26-17)11(2)25-13-6-3-5-12(19)9-13/h3-9,11H,1-2H3,(H,20,21,22)/t11-/m1/s1
InChIKeyTVDCADZODJXBTG-LLVKDONJSA-N
XLogP4.58
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-chloro-N-[3-[(1R)-1-(3-fluorophenoxy)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide 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

3-chloro-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide
CID 21081335
3-chloro-N-[4-[(3-fluorophenyl)-hydroxymethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 11603994
3-chloro-2-methyl-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 21081312
3-chloro-2-methyl-N-(3-thiophen-3-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 21081314
N-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]-2-(methoxymethyl)benzenesulfonamide
CID 126830420
[2-[(3-chloro-2-methylphenyl)sulfonylamino]-4-methyl-1,3-thiazol-5-yl] acetate
CID 10269933
2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]ethyl furan-2-carboxylate
CID 22027912
3-chloro-N-[3-[2-(diethylamino)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide;2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-methoxy-N-methylacetamide
CID 172777152
3-chloro-N-(2,6-difluoro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 103098192
2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 10111686
3-chloro-N-[4-(2-methoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 87546416
3-chloro-N-[4-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 87757253

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[(1R)-1-(3-fluorophenoxy)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[3-[(1R)-1-(3-fluorophenoxy)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide (CID 69430429) is 3-chloro-N-[3-[(1R)-1-(3-fluorophenoxy)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[3-[(1R)-1-(3-fluorophenoxy)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[3-[(1R)-1-(3-fluorophenoxy)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1nc([C@@H](C)Oc2cccc(F)c2)ns1.
What is the InChIKey of 3-chloro-N-[3-[(1R)-1-(3-fluorophenoxy)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide?
The InChIKey is TVDCADZODJXBTG-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15ClFN3O3S2/c1-10-14(18)7-4-8-15(10)27(23,24)22-17-20-16(21-26-17)11(2)25-13-6-3-5-12(19)9-13/h3-9,11H,1-2H3,(H,20,21,22)/t11-/m1/s1.
What are the key properties of 3-chloro-N-[3-[(1R)-1-(3-fluorophenoxy)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide?
3-chloro-N-[3-[(1R)-1-(3-fluorophenoxy)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide has a molecular weight of 427.91 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[(1R)-1-(3-fluorophenoxy)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 69430429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).