2-(phenoxymethyl)-2-propylpentane-1-sulfonamide

C15H25NO3S — CID 65005058

IUPAC2-(phenoxymethyl)-2-propylpentane-1-sulfonamide
SMILESCCCC(CCC)(COc1ccccc1)CS(N)(=O)=O
InChIInChI=1S/C15H25NO3S/c1-3-10-15(11-4-2,13-20(16,17)18)12-19-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H2,16,17,18)
InChIKeyFWLHRZKBSOGBQI-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.94
Rot. Bonds9

About 2-(phenoxymethyl)-2-propylpentane-1-sulfonamide

2-(phenoxymethyl)-2-propylpentane-1-sulfonamide (PubChem CID 65005058) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-(phenoxymethyl)-2-propylpentane-1-sulfonamide.

Molecular Properties

Compound Name2-(phenoxymethyl)-2-propylpentane-1-sulfonamide
PubChem CID65005058
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name2-(phenoxymethyl)-2-propylpentane-1-sulfonamide
SMILESCCCC(CCC)(COc1ccccc1)CS(N)(=O)=O
InChIInChI=1S/C15H25NO3S/c1-3-10-15(11-4-2,13-20(16,17)18)12-19-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H2,16,17,18)
InChIKeyFWLHRZKBSOGBQI-UHFFFAOYSA-N
XLogP2.94
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-2-propylpentane-1-sulfonamide?
The IUPAC name of 2-(phenoxymethyl)-2-propylpentane-1-sulfonamide (CID 65005058) is 2-(phenoxymethyl)-2-propylpentane-1-sulfonamide.
What is the SMILES notation for 2-(phenoxymethyl)-2-propylpentane-1-sulfonamide?
The canonical SMILES for 2-(phenoxymethyl)-2-propylpentane-1-sulfonamide is CCCC(CCC)(COc1ccccc1)CS(N)(=O)=O.
What is the InChIKey of 2-(phenoxymethyl)-2-propylpentane-1-sulfonamide?
The InChIKey is FWLHRZKBSOGBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-3-10-15(11-4-2,13-20(16,17)18)12-19-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-(phenoxymethyl)-2-propylpentane-1-sulfonamide?
2-(phenoxymethyl)-2-propylpentane-1-sulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.94, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-2-propylpentane-1-sulfonamide is sourced from PubChem (CID 65005058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).