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

C15H13N3O3S2 — CID 21081392

IUPACN-(3-methyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide
SMILESCc1nsc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C15H13N3O3S2/c1-11-16-15(22-17-11)18-23(19,20)14-9-7-13(8-10-14)21-12-5-3-2-4-6-12/h2-10H,1H3,(H,16,17,18)
InChIKeyGVHYCKJZUJHPSW-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.44
Rot. Bonds5

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

N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide (PubChem CID 21081392) has the molecular formula C15H13N3O3S2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-methyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide
PubChem CID21081392
Molecular FormulaC15H13N3O3S2
Molecular Weight347.42 g/mol
Exact Mass347.04
IUPAC NameN-(3-methyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide
SMILESCc1nsc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C15H13N3O3S2/c1-11-16-15(22-17-11)18-23(19,20)14-9-7-13(8-10-14)21-12-5-3-2-4-6-12/h2-10H,1H3,(H,16,17,18)
InChIKeyGVHYCKJZUJHPSW-UHFFFAOYSA-N
XLogP3.44
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide?
The IUPAC name of N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide (CID 21081392) is N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide.
What is the SMILES notation for N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide?
The canonical SMILES for N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide is Cc1nsc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide?
The InChIKey is GVHYCKJZUJHPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S2/c1-11-16-15(22-17-11)18-23(19,20)14-9-7-13(8-10-14)21-12-5-3-2-4-6-12/h2-10H,1H3,(H,16,17,18).
What are the key properties of N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide?
N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide has a molecular weight of 347.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide is sourced from PubChem (CID 21081392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).