N-benzyloxane-4-sulfonamide

C12H17NO3S — CID 53484275

IUPACN-benzyloxane-4-sulfonamide
SMILESO=S(=O)(NCc1ccccc1)C1CCOCC1
InChIInChI=1S/C12H17NO3S/c14-17(15,12-6-8-16-9-7-12)13-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
InChIKeyXMIFHAGAFWHVSG-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.28
Rot. Bonds4

About N-benzyloxane-4-sulfonamide

N-benzyloxane-4-sulfonamide (PubChem CID 53484275) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-benzyloxane-4-sulfonamide.

Molecular Properties

Compound NameN-benzyloxane-4-sulfonamide
PubChem CID53484275
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-benzyloxane-4-sulfonamide
SMILESO=S(=O)(NCc1ccccc1)C1CCOCC1
InChIInChI=1S/C12H17NO3S/c14-17(15,12-6-8-16-9-7-12)13-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
InChIKeyXMIFHAGAFWHVSG-UHFFFAOYSA-N
XLogP1.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyloxane-4-sulfonamide?
The IUPAC name of N-benzyloxane-4-sulfonamide (CID 53484275) is N-benzyloxane-4-sulfonamide.
What is the SMILES notation for N-benzyloxane-4-sulfonamide?
The canonical SMILES for N-benzyloxane-4-sulfonamide is O=S(=O)(NCc1ccccc1)C1CCOCC1.
What is the InChIKey of N-benzyloxane-4-sulfonamide?
The InChIKey is XMIFHAGAFWHVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c14-17(15,12-6-8-16-9-7-12)13-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2.
What are the key properties of N-benzyloxane-4-sulfonamide?
N-benzyloxane-4-sulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyloxane-4-sulfonamide is sourced from PubChem (CID 53484275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).