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

C16H15N3O3S2 — CID 21081440

IUPACN-(3-ethyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide
SMILESCCc1nsc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C16H15N3O3S2/c1-2-15-17-16(23-18-15)19-24(20,21)14-10-8-13(9-11-14)22-12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,17,18,19)
InChIKeySLVZTFVDZIIGMN-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.69
Rot. Bonds6

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

N-(3-ethyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide (PubChem CID 21081440) has the molecular formula C16H15N3O3S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(3-ethyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-ethyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide
PubChem CID21081440
Molecular FormulaC16H15N3O3S2
Molecular Weight361.45 g/mol
Exact Mass361.06
IUPAC NameN-(3-ethyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide
SMILESCCc1nsc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C16H15N3O3S2/c1-2-15-17-16(23-18-15)19-24(20,21)14-10-8-13(9-11-14)22-12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,17,18,19)
InChIKeySLVZTFVDZIIGMN-UHFFFAOYSA-N
XLogP3.69
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide?
The IUPAC name of N-(3-ethyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide (CID 21081440) is N-(3-ethyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide.
What is the SMILES notation for N-(3-ethyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide?
The canonical SMILES for N-(3-ethyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide is CCc1nsc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of N-(3-ethyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide?
The InChIKey is SLVZTFVDZIIGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S2/c1-2-15-17-16(23-18-15)19-24(20,21)14-10-8-13(9-11-14)22-12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,17,18,19).
What are the key properties of N-(3-ethyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide?
N-(3-ethyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide has a molecular weight of 361.45 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide is sourced from PubChem (CID 21081440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).