1,1-difluoro-N-octadecylmethanesulfonamide

C19H39F2NO2S — CID 58435929

IUPAC1,1-difluoro-N-octadecylmethanesulfonamide
SMILESCCCCCCCCCCCCCCCCCCNS(=O)(=O)C(F)F
InChIInChI=1S/C19H39F2NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25(23,24)19(20)21/h19,22H,2-18H2,1H3
InChIKeyUWCUCRWZMQOHHV-UHFFFAOYSA-N
MW383.59 g/mol
LogP6.39
Rot. Bonds19

About 1,1-difluoro-N-octadecylmethanesulfonamide

1,1-difluoro-N-octadecylmethanesulfonamide (PubChem CID 58435929) has the molecular formula C19H39F2NO2S and a molecular weight of 383.59 g/mol. Its IUPAC name is 1,1-difluoro-N-octadecylmethanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-octadecylmethanesulfonamide
PubChem CID58435929
Molecular FormulaC19H39F2NO2S
Molecular Weight383.59 g/mol
Exact Mass383.27
IUPAC Name1,1-difluoro-N-octadecylmethanesulfonamide
SMILESCCCCCCCCCCCCCCCCCCNS(=O)(=O)C(F)F
InChIInChI=1S/C19H39F2NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25(23,24)19(20)21/h19,22H,2-18H2,1H3
InChIKeyUWCUCRWZMQOHHV-UHFFFAOYSA-N
XLogP6.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.59
LogP ≤ 56.39
H-Bond Donors ≤ 51
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 1,1-difluoro-N-octadecylmethanesulfonamide?
The IUPAC name of 1,1-difluoro-N-octadecylmethanesulfonamide (CID 58435929) is 1,1-difluoro-N-octadecylmethanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-octadecylmethanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-octadecylmethanesulfonamide is CCCCCCCCCCCCCCCCCCNS(=O)(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-octadecylmethanesulfonamide?
The InChIKey is UWCUCRWZMQOHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39F2NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25(23,24)19(20)21/h19,22H,2-18H2,1H3.
What are the key properties of 1,1-difluoro-N-octadecylmethanesulfonamide?
1,1-difluoro-N-octadecylmethanesulfonamide has a molecular weight of 383.59 g/mol, XLogP of 6.39, 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-octadecylmethanesulfonamide is sourced from PubChem (CID 58435929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).