1-[4-(hydroxymethyl)phenyl]-N-(5-methoxypentyl)methanesulfonamide

C14H23NO4S — CID 106002081

IUPAC1-[4-(hydroxymethyl)phenyl]-N-(5-methoxypentyl)methanesulfonamide
SMILESCOCCCCCNS(=O)(=O)Cc1ccc(CO)cc1
InChIInChI=1S/C14H23NO4S/c1-19-10-4-2-3-9-15-20(17,18)12-14-7-5-13(11-16)6-8-14/h5-8,15-16H,2-4,9-12H2,1H3
InChIKeyVTIJUIQTCJODNC-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.41
Rot. Bonds10

About 1-[4-(hydroxymethyl)phenyl]-N-(5-methoxypentyl)methanesulfonamide

1-[4-(hydroxymethyl)phenyl]-N-(5-methoxypentyl)methanesulfonamide (PubChem CID 106002081) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)phenyl]-N-(5-methoxypentyl)methanesulfonamide.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)phenyl]-N-(5-methoxypentyl)methanesulfonamide
PubChem CID106002081
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC Name1-[4-(hydroxymethyl)phenyl]-N-(5-methoxypentyl)methanesulfonamide
SMILESCOCCCCCNS(=O)(=O)Cc1ccc(CO)cc1
InChIInChI=1S/C14H23NO4S/c1-19-10-4-2-3-9-15-20(17,18)12-14-7-5-13(11-16)6-8-14/h5-8,15-16H,2-4,9-12H2,1H3
InChIKeyVTIJUIQTCJODNC-UHFFFAOYSA-N
XLogP1.41
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(ethylaminomethyl)phenyl]-N-(4-methoxybutyl)methanesulfonamide
CID 106054025
1-(4-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide
CID 18891255
N-(4-methoxybutyl)-1-(3-methylphenyl)methanesulfonamide
CID 110418031
2-methoxy-N-(4-methoxybutyl)ethanesulfonamide
CID 110416443
3-hydroxy-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106002038
3-(3-methoxypropylsulfamoylmethyl)benzoic acid
CID 43362620
N-(5-hydroxypentyl)-2-methoxyethanesulfonamide
CID 107319418
2,3-difluoro-5-(hydroxymethyl)-N-(5-methoxypentyl)benzenesulfonamide
CID 106002047
N-(5-methoxypentyl)methanesulfonamide
CID 103632034
1-[4-(aminomethyl)phenyl]-N-octylmethanesulfonamide
CID 115567343
N-(5-methoxypentyl)-4-[2-(methylamino)ethyl]benzenesulfonamide
CID 106092787
N-octadecyl-1-phenylmethanesulfonamide
CID 139636949

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)phenyl]-N-(5-methoxypentyl)methanesulfonamide?
The IUPAC name of 1-[4-(hydroxymethyl)phenyl]-N-(5-methoxypentyl)methanesulfonamide (CID 106002081) is 1-[4-(hydroxymethyl)phenyl]-N-(5-methoxypentyl)methanesulfonamide.
What is the SMILES notation for 1-[4-(hydroxymethyl)phenyl]-N-(5-methoxypentyl)methanesulfonamide?
The canonical SMILES for 1-[4-(hydroxymethyl)phenyl]-N-(5-methoxypentyl)methanesulfonamide is COCCCCCNS(=O)(=O)Cc1ccc(CO)cc1.
What is the InChIKey of 1-[4-(hydroxymethyl)phenyl]-N-(5-methoxypentyl)methanesulfonamide?
The InChIKey is VTIJUIQTCJODNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-19-10-4-2-3-9-15-20(17,18)12-14-7-5-13(11-16)6-8-14/h5-8,15-16H,2-4,9-12H2,1H3.
What are the key properties of 1-[4-(hydroxymethyl)phenyl]-N-(5-methoxypentyl)methanesulfonamide?
1-[4-(hydroxymethyl)phenyl]-N-(5-methoxypentyl)methanesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.41, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)phenyl]-N-(5-methoxypentyl)methanesulfonamide is sourced from PubChem (CID 106002081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).