N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide

C11H10F3N3O3S2 — CID 2744641

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)s1
InChIInChI=1S/C11H10F3N3O3S2/c1-2-9-15-16-10(21-9)17-22(18,19)8-5-3-7(4-6-8)20-11(12,13)14/h3-6H,2H2,1H3,(H,16,17)
InChIKeyZTJPSGLGESZROP-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.80
Rot. Bonds5

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 2744641) has the molecular formula C11H10F3N3O3S2 and a molecular weight of 353.35 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID2744641
Molecular FormulaC11H10F3N3O3S2
Molecular Weight353.35 g/mol
Exact Mass353.01
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)s1
InChIInChI=1S/C11H10F3N3O3S2/c1-2-9-15-16-10(21-9)17-22(18,19)8-5-3-7(4-6-8)20-11(12,13)14/h3-6H,2H2,1H3,(H,16,17)
InChIKeyZTJPSGLGESZROP-UHFFFAOYSA-N
XLogP2.80
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)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-Methoxy-N-(5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 234310
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzenesulfonamide
CID 840138
Benzenesulfonamide, N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-p-methoxy-
CID 198956
4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 1094170
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzenesulfonamide
CID 750631
4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 787504
4-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 750630
4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzene-1-sulfonamide
CID 847124
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide
CID 750627
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 2744632
US10370333, Example V-20
CID 56684245
4-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 172434079

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide (CID 2744641) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide is CCc1nnc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is ZTJPSGLGESZROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O3S2/c1-2-9-15-16-10(21-9)17-22(18,19)8-5-3-7(4-6-8)20-11(12,13)14/h3-6H,2H2,1H3,(H,16,17).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 353.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 2744641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).