4-(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide

C16H13N3O4S2 — CID 162649059

IUPAC4-(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nnc(SCC(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C16H13N3O4S2/c17-25(21,22)13-8-6-12(7-9-13)15-18-19-16(23-15)24-10-14(20)11-4-2-1-3-5-11/h1-9H,10H2,(H2,17,21,22)
InChIKeyRZXJAMZTPODYMJ-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.36
Rot. Bonds6

About 4-(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide

4-(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (PubChem CID 162649059) has the molecular formula C16H13N3O4S2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
PubChem CID162649059
Molecular FormulaC16H13N3O4S2
Molecular Weight375.43 g/mol
Exact Mass375.03
IUPAC Name4-(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nnc(SCC(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C16H13N3O4S2/c17-25(21,22)13-8-6-12(7-9-13)15-18-19-16(23-15)24-10-14(20)11-4-2-1-3-5-11/h1-9H,10H2,(H2,17,21,22)
InChIKeyRZXJAMZTPODYMJ-UHFFFAOYSA-N
XLogP2.36
TPSA116.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (CID 162649059) is 4-(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(-c2nnc(SCC(=O)c3ccccc3)o2)cc1.
What is the InChIKey of 4-(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The InChIKey is RZXJAMZTPODYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4S2/c17-25(21,22)13-8-6-12(7-9-13)15-18-19-16(23-15)24-10-14(20)11-4-2-1-3-5-11/h1-9H,10H2,(H2,17,21,22).
What are the key properties of 4-(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
4-(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide has a molecular weight of 375.43 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 162649059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).