2-(phenylmethoxymethyl)pentane-1-sulfonamide

C13H21NO3S — CID 65013117

IUPAC2-(phenylmethoxymethyl)pentane-1-sulfonamide
SMILESCCCC(COCc1ccccc1)CS(N)(=O)=O
InChIInChI=1S/C13H21NO3S/c1-2-6-13(11-18(14,15)16)10-17-9-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3,(H2,14,15,16)
InChIKeyLZLYIUVQHDXUNG-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.91
Rot. Bonds8

About 2-(phenylmethoxymethyl)pentane-1-sulfonamide

2-(phenylmethoxymethyl)pentane-1-sulfonamide (PubChem CID 65013117) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-(phenylmethoxymethyl)pentane-1-sulfonamide.

Molecular Properties

Compound Name2-(phenylmethoxymethyl)pentane-1-sulfonamide
PubChem CID65013117
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name2-(phenylmethoxymethyl)pentane-1-sulfonamide
SMILESCCCC(COCc1ccccc1)CS(N)(=O)=O
InChIInChI=1S/C13H21NO3S/c1-2-6-13(11-18(14,15)16)10-17-9-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3,(H2,14,15,16)
InChIKeyLZLYIUVQHDXUNG-UHFFFAOYSA-N
XLogP1.91
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)methoxymethyl]pentane-1-sulfonamide
CID 82827167
2-[(4-bromophenyl)methoxymethyl]butane-1-sulfonamide
CID 82827482
3-(phenylmethoxymethyl)hexanoic acid
CID 174921830
N-methyl-2-(phenylmethoxymethyl)pentan-1-amine
CID 102940428
2-benzyloctoxymethylbenzene
CID 134979791
2-benzylbutane-1-sulfonamide
CID 68809257
2-[(4-bromophenoxy)methyl]pentane-1-sulfonamide
CID 65013265
[(2R)-2-methylheptoxy]methylbenzene
CID 126666980
(4R)-4-(phenylmethoxymethyl)hexanal
CID 89139563
[(3R)-3-(methylsulfonyloxymethyl)-4-phenylmethoxybutyl] methanesulfonate
CID 10690263
N-(2-methoxyethyl)-2-(phenylmethoxymethyl)pentan-1-amine
CID 102940526
(2-benzyl-3-phenylmethoxypropoxy)methylbenzene
CID 139384668

Frequently Asked Questions

What is the IUPAC name of 2-(phenylmethoxymethyl)pentane-1-sulfonamide?
The IUPAC name of 2-(phenylmethoxymethyl)pentane-1-sulfonamide (CID 65013117) is 2-(phenylmethoxymethyl)pentane-1-sulfonamide.
What is the SMILES notation for 2-(phenylmethoxymethyl)pentane-1-sulfonamide?
The canonical SMILES for 2-(phenylmethoxymethyl)pentane-1-sulfonamide is CCCC(COCc1ccccc1)CS(N)(=O)=O.
What is the InChIKey of 2-(phenylmethoxymethyl)pentane-1-sulfonamide?
The InChIKey is LZLYIUVQHDXUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-2-6-13(11-18(14,15)16)10-17-9-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3,(H2,14,15,16).
What are the key properties of 2-(phenylmethoxymethyl)pentane-1-sulfonamide?
2-(phenylmethoxymethyl)pentane-1-sulfonamide has a molecular weight of 271.38 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylmethoxymethyl)pentane-1-sulfonamide is sourced from PubChem (CID 65013117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).