N,N-bis(2-ethylhexyl)methanesulfonamide

C17H37NO2S — CID 533127

IUPACN,N-bis(2-ethylhexyl)methanesulfonamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)S(C)(=O)=O
InChIInChI=1S/C17H37NO2S/c1-6-10-12-16(8-3)14-18(21(5,19)20)15-17(9-4)13-11-7-2/h16-17H,6-15H2,1-5H3
InChIKeyGZOWNGFRNHVCFR-UHFFFAOYSA-N
MW319.56 g/mol
LogP4.68
Rot. Bonds13

About N,N-bis(2-ethylhexyl)methanesulfonamide

N,N-bis(2-ethylhexyl)methanesulfonamide (PubChem CID 533127) has the molecular formula C17H37NO2S and a molecular weight of 319.56 g/mol. Its IUPAC name is N,N-bis(2-ethylhexyl)methanesulfonamide.

Molecular Properties

Compound NameN,N-bis(2-ethylhexyl)methanesulfonamide
PubChem CID533127
Molecular FormulaC17H37NO2S
Molecular Weight319.56 g/mol
Exact Mass319.25
IUPAC NameN,N-bis(2-ethylhexyl)methanesulfonamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)S(C)(=O)=O
InChIInChI=1S/C17H37NO2S/c1-6-10-12-16(8-3)14-18(21(5,19)20)15-17(9-4)13-11-7-2/h16-17H,6-15H2,1-5H3
InChIKeyGZOWNGFRNHVCFR-UHFFFAOYSA-N
XLogP4.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.56
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-ethylhexyl)methanesulfonamide?
The IUPAC name of N,N-bis(2-ethylhexyl)methanesulfonamide (CID 533127) is N,N-bis(2-ethylhexyl)methanesulfonamide.
What is the SMILES notation for N,N-bis(2-ethylhexyl)methanesulfonamide?
The canonical SMILES for N,N-bis(2-ethylhexyl)methanesulfonamide is CCCCC(CC)CN(CC(CC)CCCC)S(C)(=O)=O.
What is the InChIKey of N,N-bis(2-ethylhexyl)methanesulfonamide?
The InChIKey is GZOWNGFRNHVCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO2S/c1-6-10-12-16(8-3)14-18(21(5,19)20)15-17(9-4)13-11-7-2/h16-17H,6-15H2,1-5H3.
What are the key properties of N,N-bis(2-ethylhexyl)methanesulfonamide?
N,N-bis(2-ethylhexyl)methanesulfonamide has a molecular weight of 319.56 g/mol, XLogP of 4.68, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethylhexyl)methanesulfonamide is sourced from PubChem (CID 533127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).