N-[3-(2-ethoxyethyl)-1,2,4-thiadiazol-5-yl]-4-phenoxybenzenesulfonamide

C18H19N3O4S2 — CID 21081369

IUPACN-[3-(2-ethoxyethyl)-1,2,4-thiadiazol-5-yl]-4-phenoxybenzenesulfonamide
SMILESCCOCCc1nsc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C18H19N3O4S2/c1-2-24-13-12-17-19-18(26-20-17)21-27(22,23)16-10-8-15(9-11-16)25-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,19,20,21)
InChIKeyUXHHSKOUKAGHTB-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.71
Rot. Bonds9

About N-[3-(2-ethoxyethyl)-1,2,4-thiadiazol-5-yl]-4-phenoxybenzenesulfonamide

N-[3-(2-ethoxyethyl)-1,2,4-thiadiazol-5-yl]-4-phenoxybenzenesulfonamide (PubChem CID 21081369) has the molecular formula C18H19N3O4S2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[3-(2-ethoxyethyl)-1,2,4-thiadiazol-5-yl]-4-phenoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2-ethoxyethyl)-1,2,4-thiadiazol-5-yl]-4-phenoxybenzenesulfonamide
PubChem CID21081369
Molecular FormulaC18H19N3O4S2
Molecular Weight405.50 g/mol
Exact Mass405.08
IUPAC NameN-[3-(2-ethoxyethyl)-1,2,4-thiadiazol-5-yl]-4-phenoxybenzenesulfonamide
SMILESCCOCCc1nsc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C18H19N3O4S2/c1-2-24-13-12-17-19-18(26-20-17)21-27(22,23)16-10-8-15(9-11-16)25-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,19,20,21)
InChIKeyUXHHSKOUKAGHTB-UHFFFAOYSA-N
XLogP3.71
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethoxyethyl)-1,2,4-thiadiazol-5-yl]-4-phenoxybenzenesulfonamide?
The IUPAC name of N-[3-(2-ethoxyethyl)-1,2,4-thiadiazol-5-yl]-4-phenoxybenzenesulfonamide (CID 21081369) is N-[3-(2-ethoxyethyl)-1,2,4-thiadiazol-5-yl]-4-phenoxybenzenesulfonamide.
What is the SMILES notation for N-[3-(2-ethoxyethyl)-1,2,4-thiadiazol-5-yl]-4-phenoxybenzenesulfonamide?
The canonical SMILES for N-[3-(2-ethoxyethyl)-1,2,4-thiadiazol-5-yl]-4-phenoxybenzenesulfonamide is CCOCCc1nsc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of N-[3-(2-ethoxyethyl)-1,2,4-thiadiazol-5-yl]-4-phenoxybenzenesulfonamide?
The InChIKey is UXHHSKOUKAGHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S2/c1-2-24-13-12-17-19-18(26-20-17)21-27(22,23)16-10-8-15(9-11-16)25-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,19,20,21).
What are the key properties of N-[3-(2-ethoxyethyl)-1,2,4-thiadiazol-5-yl]-4-phenoxybenzenesulfonamide?
N-[3-(2-ethoxyethyl)-1,2,4-thiadiazol-5-yl]-4-phenoxybenzenesulfonamide has a molecular weight of 405.50 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethoxyethyl)-1,2,4-thiadiazol-5-yl]-4-phenoxybenzenesulfonamide is sourced from PubChem (CID 21081369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).