1,1-difluoro-N-octadecylethanesulfonamide

C20H41F2NO2S — CID 58122746

IUPAC1,1-difluoro-N-octadecylethanesulfonamide
SMILESCCCCCCCCCCCCCCCCCCNS(=O)(=O)C(C)(F)F
InChIInChI=1S/C20H41F2NO2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26(24,25)20(2,21)22/h23H,3-19H2,1-2H3
InChIKeyMWEQVASNXRXCBS-UHFFFAOYSA-N
MW397.62 g/mol
LogP6.78
Rot. Bonds19

About 1,1-difluoro-N-octadecylethanesulfonamide

1,1-difluoro-N-octadecylethanesulfonamide (PubChem CID 58122746) has the molecular formula C20H41F2NO2S and a molecular weight of 397.62 g/mol. Its IUPAC name is 1,1-difluoro-N-octadecylethanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-octadecylethanesulfonamide
PubChem CID58122746
Molecular FormulaC20H41F2NO2S
Molecular Weight397.62 g/mol
Exact Mass397.28
IUPAC Name1,1-difluoro-N-octadecylethanesulfonamide
SMILESCCCCCCCCCCCCCCCCCCNS(=O)(=O)C(C)(F)F
InChIInChI=1S/C20H41F2NO2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26(24,25)20(2,21)22/h23H,3-19H2,1-2H3
InChIKeyMWEQVASNXRXCBS-UHFFFAOYSA-N
XLogP6.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.62
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1-difluoro-N-octadecylethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-dihexadecylmethanedisulfonamide
CID 140586841
tricosane;trifluoromethanesulfonic acid
CID 161255361
N-butyl-1,1-difluoro-1-(trifluoromethylsulfonylmethylsulfonyl)methanesulfonamide
CID 90329011
N-octadecylpropane-1-sulfonamide
CID 88827291
nonane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 175845377
N-decylbutane-1-sulfonamide
CID 19681427
1-(sulfamoylamino)octane;hydrofluoride
CID 175085495
sodium N-octadecylsulfamate
CID 87410765
N-butyl-1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-2-sulfonamide
CID 88612775
azane;1-(sulfamoylamino)pentane
CID 87509026
N-(trifluoromethyl)hexadecan-1-amine
CID 158402254
N-[4-(4-butylanilino)butyl]-2-methylpropane-2-sulfonamide
CID 70938800

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-octadecylethanesulfonamide?
The IUPAC name of 1,1-difluoro-N-octadecylethanesulfonamide (CID 58122746) is 1,1-difluoro-N-octadecylethanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-octadecylethanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-octadecylethanesulfonamide is CCCCCCCCCCCCCCCCCCNS(=O)(=O)C(C)(F)F.
What is the InChIKey of 1,1-difluoro-N-octadecylethanesulfonamide?
The InChIKey is MWEQVASNXRXCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41F2NO2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26(24,25)20(2,21)22/h23H,3-19H2,1-2H3.
What are the key properties of 1,1-difluoro-N-octadecylethanesulfonamide?
1,1-difluoro-N-octadecylethanesulfonamide has a molecular weight of 397.62 g/mol, XLogP of 6.78, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-octadecylethanesulfonamide is sourced from PubChem (CID 58122746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).