N-(3-methoxy-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide

C15H13N3O4S2 — CID 21081391

IUPACN-(3-methoxy-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide
SMILESCOc1nsc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C15H13N3O4S2/c1-21-14-16-15(23-17-14)18-24(19,20)13-9-7-12(8-10-13)22-11-5-3-2-4-6-11/h2-10H,1H3,(H,16,17,18)
InChIKeyYFFGSCMGOATNRG-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.14
Rot. Bonds6

About N-(3-methoxy-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide

N-(3-methoxy-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide (PubChem CID 21081391) has the molecular formula C15H13N3O4S2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(3-methoxy-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-methoxy-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide
PubChem CID21081391
Molecular FormulaC15H13N3O4S2
Molecular Weight363.42 g/mol
Exact Mass363.03
IUPAC NameN-(3-methoxy-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide
SMILESCOc1nsc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C15H13N3O4S2/c1-21-14-16-15(23-17-14)18-24(19,20)13-9-7-12(8-10-13)22-11-5-3-2-4-6-11/h2-10H,1H3,(H,16,17,18)
InChIKeyYFFGSCMGOATNRG-UHFFFAOYSA-N
XLogP3.14
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-methoxy-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide 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-(3,5-difluorophenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 118342744
2,5-difluoro-4-(3-fluorophenoxy)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 118349130
2,5-difluoro-4-phenylmethoxy-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 145181960
3-Methoxy-5-(2-phenoxyethanesulfonyl)-1,2,4-thiadiazole
CID 15981990
4-butoxy-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 21081346
N-[3-(2-ethoxyethyl)-1,2,4-thiadiazol-5-yl]-4-phenoxybenzenesulfonamide
CID 21081369
N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide
CID 21081374
N-[3-(diethylaminomethyl)-1,2,4-thiadiazol-5-yl]-4-phenoxybenzenesulfonamide
CID 21081376
N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide
CID 21081392
N-(3-morpholin-4-yl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide
CID 21081393
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide
CID 21081398
N-(3-ethyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide
CID 21081440

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide?
The IUPAC name of N-(3-methoxy-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide (CID 21081391) is N-(3-methoxy-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide.
What is the SMILES notation for N-(3-methoxy-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide?
The canonical SMILES for N-(3-methoxy-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide is COc1nsc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of N-(3-methoxy-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide?
The InChIKey is YFFGSCMGOATNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S2/c1-21-14-16-15(23-17-14)18-24(19,20)13-9-7-12(8-10-13)22-11-5-3-2-4-6-11/h2-10H,1H3,(H,16,17,18).
What are the key properties of N-(3-methoxy-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide?
N-(3-methoxy-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide has a molecular weight of 363.42 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide is sourced from PubChem (CID 21081391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).