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

C18H19N3O3S2 — CID 21081398

IUPACN-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide
SMILESCC(C)(C)c1nsc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C18H19N3O3S2/c1-18(2,3)16-19-17(25-20-16)21-26(22,23)15-11-9-14(10-12-15)24-13-7-5-4-6-8-13/h4-12H,1-3H3,(H,19,20,21)
InChIKeyKYOLKVVJYJYASZ-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.43
Rot. Bonds5

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

N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide (PubChem CID 21081398) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide
PubChem CID21081398
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC NameN-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide
SMILESCC(C)(C)c1nsc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C18H19N3O3S2/c1-18(2,3)16-19-17(25-20-16)21-26(22,23)15-11-9-14(10-12-15)24-13-7-5-4-6-8-13/h4-12H,1-3H3,(H,19,20,21)
InChIKeyKYOLKVVJYJYASZ-UHFFFAOYSA-N
XLogP4.43
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide?
The IUPAC name of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide (CID 21081398) is N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide.
What is the SMILES notation for N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide?
The canonical SMILES for N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide is CC(C)(C)c1nsc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide?
The InChIKey is KYOLKVVJYJYASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c1-18(2,3)16-19-17(25-20-16)21-26(22,23)15-11-9-14(10-12-15)24-13-7-5-4-6-8-13/h4-12H,1-3H3,(H,19,20,21).
What are the key properties of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide?
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide has a molecular weight of 389.50 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide is sourced from PubChem (CID 21081398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).