N,N-dioctylmethanesulfonamide

C17H37NO2S — CID 533130

IUPACN,N-dioctylmethanesulfonamide
SMILESCCCCCCCCN(CCCCCCCC)S(C)(=O)=O
InChIInChI=1S/C17H37NO2S/c1-4-6-8-10-12-14-16-18(21(3,19)20)17-15-13-11-9-7-5-2/h4-17H2,1-3H3
InChIKeyXHHHTXDICJDRSR-UHFFFAOYSA-N
MW319.56 g/mol
LogP4.97
Rot. Bonds15

About N,N-dioctylmethanesulfonamide

N,N-dioctylmethanesulfonamide (PubChem CID 533130) has the molecular formula C17H37NO2S and a molecular weight of 319.56 g/mol. Its IUPAC name is N,N-dioctylmethanesulfonamide.

Molecular Properties

Compound NameN,N-dioctylmethanesulfonamide
PubChem CID533130
Molecular FormulaC17H37NO2S
Molecular Weight319.56 g/mol
Exact Mass319.25
IUPAC NameN,N-dioctylmethanesulfonamide
SMILESCCCCCCCCN(CCCCCCCC)S(C)(=O)=O
InChIInChI=1S/C17H37NO2S/c1-4-6-8-10-12-14-16-18(21(3,19)20)17-15-13-11-9-7-5-2/h4-17H2,1-3H3
InChIKeyXHHHTXDICJDRSR-UHFFFAOYSA-N
XLogP4.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.56
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dioctylmethanesulfonamide?
The IUPAC name of N,N-dioctylmethanesulfonamide (CID 533130) is N,N-dioctylmethanesulfonamide.
What is the SMILES notation for N,N-dioctylmethanesulfonamide?
The canonical SMILES for N,N-dioctylmethanesulfonamide is CCCCCCCCN(CCCCCCCC)S(C)(=O)=O.
What is the InChIKey of N,N-dioctylmethanesulfonamide?
The InChIKey is XHHHTXDICJDRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO2S/c1-4-6-8-10-12-14-16-18(21(3,19)20)17-15-13-11-9-7-5-2/h4-17H2,1-3H3.
What are the key properties of N,N-dioctylmethanesulfonamide?
N,N-dioctylmethanesulfonamide has a molecular weight of 319.56 g/mol, XLogP of 4.97, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dioctylmethanesulfonamide is sourced from PubChem (CID 533130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).