N-dodecyl-1,1-difluoroethanesulfonamide

C14H29F2NO2S — CID 58435959

IUPACN-dodecyl-1,1-difluoroethanesulfonamide
SMILESCCCCCCCCCCCCNS(=O)(=O)C(C)(F)F
InChIInChI=1S/C14H29F2NO2S/c1-3-4-5-6-7-8-9-10-11-12-13-17-20(18,19)14(2,15)16/h17H,3-13H2,1-2H3
InChIKeyFNLBTWMOCVUMFM-UHFFFAOYSA-N
MW313.45 g/mol
LogP4.44
Rot. Bonds13

About N-dodecyl-1,1-difluoroethanesulfonamide

N-dodecyl-1,1-difluoroethanesulfonamide (PubChem CID 58435959) has the molecular formula C14H29F2NO2S and a molecular weight of 313.45 g/mol. Its IUPAC name is N-dodecyl-1,1-difluoroethanesulfonamide.

Molecular Properties

Compound NameN-dodecyl-1,1-difluoroethanesulfonamide
PubChem CID58435959
Molecular FormulaC14H29F2NO2S
Molecular Weight313.45 g/mol
Exact Mass313.19
IUPAC NameN-dodecyl-1,1-difluoroethanesulfonamide
SMILESCCCCCCCCCCCCNS(=O)(=O)C(C)(F)F
InChIInChI=1S/C14H29F2NO2S/c1-3-4-5-6-7-8-9-10-11-12-13-17-20(18,19)14(2,15)16/h17H,3-13H2,1-2H3
InChIKeyFNLBTWMOCVUMFM-UHFFFAOYSA-N
XLogP4.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 54.44
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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Related Compounds

Volcano
CID 77797
1-Heptanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-
CID 111914
N-Ethyl-d5-perfluorooctanesulfonamide
CID 102145672
N-Propyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
CID 14512906
N-Butylperfluorooctane-1-sulfonamide
CID 22149415
N-Hexylperfluorobutanesulfonamide
CID 85868528
N-dodecyl-1,1,1-trifluoromethanesulfonamide
CID 87227510
N-Cyclooctyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
CID 102225000
N-Hexyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
CID 22352711
Propyl perfluorohexane sulfonamide
CID 19931112
1,1,1-trifluoro-N-hexylmethanesulfonamide
CID 58427693
N-ethyl fluorooctane sulfonamide
CID 129829229

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-1,1-difluoroethanesulfonamide?
The IUPAC name of N-dodecyl-1,1-difluoroethanesulfonamide (CID 58435959) is N-dodecyl-1,1-difluoroethanesulfonamide.
What is the SMILES notation for N-dodecyl-1,1-difluoroethanesulfonamide?
The canonical SMILES for N-dodecyl-1,1-difluoroethanesulfonamide is CCCCCCCCCCCCNS(=O)(=O)C(C)(F)F.
What is the InChIKey of N-dodecyl-1,1-difluoroethanesulfonamide?
The InChIKey is FNLBTWMOCVUMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29F2NO2S/c1-3-4-5-6-7-8-9-10-11-12-13-17-20(18,19)14(2,15)16/h17H,3-13H2,1-2H3.
What are the key properties of N-dodecyl-1,1-difluoroethanesulfonamide?
N-dodecyl-1,1-difluoroethanesulfonamide has a molecular weight of 313.45 g/mol, XLogP of 4.44, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-1,1-difluoroethanesulfonamide is sourced from PubChem (CID 58435959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).