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

C18H18N4O4S2 — CID 21081393

IUPACN-(3-morpholin-4-yl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide
SMILESO=S(=O)(Nc1nc(N2CCOCC2)ns1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H18N4O4S2/c23-28(24,21-18-19-17(20-27-18)22-10-12-25-13-11-22)16-8-6-15(7-9-16)26-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,19,20,21)
InChIKeyDOVITWLIGFIVRN-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.97
Rot. Bonds6

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

N-(3-morpholin-4-yl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide (PubChem CID 21081393) has the molecular formula C18H18N4O4S2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-(3-morpholin-4-yl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-morpholin-4-yl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide
PubChem CID21081393
Molecular FormulaC18H18N4O4S2
Molecular Weight418.50 g/mol
Exact Mass418.08
IUPAC NameN-(3-morpholin-4-yl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide
SMILESO=S(=O)(Nc1nc(N2CCOCC2)ns1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H18N4O4S2/c23-28(24,21-18-19-17(20-27-18)22-10-12-25-13-11-22)16-8-6-15(7-9-16)26-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,19,20,21)
InChIKeyDOVITWLIGFIVRN-UHFFFAOYSA-N
XLogP2.97
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-yl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide?
The IUPAC name of N-(3-morpholin-4-yl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide (CID 21081393) is N-(3-morpholin-4-yl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide.
What is the SMILES notation for N-(3-morpholin-4-yl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide?
The canonical SMILES for N-(3-morpholin-4-yl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide is O=S(=O)(Nc1nc(N2CCOCC2)ns1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-(3-morpholin-4-yl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide?
The InChIKey is DOVITWLIGFIVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S2/c23-28(24,21-18-19-17(20-27-18)22-10-12-25-13-11-22)16-8-6-15(7-9-16)26-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,19,20,21).
What are the key properties of N-(3-morpholin-4-yl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide?
N-(3-morpholin-4-yl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide has a molecular weight of 418.50 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-yl-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide is sourced from PubChem (CID 21081393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).