N-phenacyloxane-4-sulfonamide

C13H17NO4S — CID 64994557

IUPACN-phenacyloxane-4-sulfonamide
SMILESO=C(CNS(=O)(=O)C1CCOCC1)c1ccccc1
InChIInChI=1S/C13H17NO4S/c15-13(11-4-2-1-3-5-11)10-14-19(16,17)12-6-8-18-9-7-12/h1-5,12,14H,6-10H2
InChIKeyQDLFMGSPFBGEHB-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.97
Rot. Bonds5

About N-phenacyloxane-4-sulfonamide

N-phenacyloxane-4-sulfonamide (PubChem CID 64994557) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-phenacyloxane-4-sulfonamide.

Molecular Properties

Compound NameN-phenacyloxane-4-sulfonamide
PubChem CID64994557
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC NameN-phenacyloxane-4-sulfonamide
SMILESO=C(CNS(=O)(=O)C1CCOCC1)c1ccccc1
InChIInChI=1S/C13H17NO4S/c15-13(11-4-2-1-3-5-11)10-14-19(16,17)12-6-8-18-9-7-12/h1-5,12,14H,6-10H2
InChIKeyQDLFMGSPFBGEHB-UHFFFAOYSA-N
XLogP0.97
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenacyloxane-4-sulfonamide?
The IUPAC name of N-phenacyloxane-4-sulfonamide (CID 64994557) is N-phenacyloxane-4-sulfonamide.
What is the SMILES notation for N-phenacyloxane-4-sulfonamide?
The canonical SMILES for N-phenacyloxane-4-sulfonamide is O=C(CNS(=O)(=O)C1CCOCC1)c1ccccc1.
What is the InChIKey of N-phenacyloxane-4-sulfonamide?
The InChIKey is QDLFMGSPFBGEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c15-13(11-4-2-1-3-5-11)10-14-19(16,17)12-6-8-18-9-7-12/h1-5,12,14H,6-10H2.
What are the key properties of N-phenacyloxane-4-sulfonamide?
N-phenacyloxane-4-sulfonamide has a molecular weight of 283.35 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenacyloxane-4-sulfonamide is sourced from PubChem (CID 64994557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).