1,1,1-trifluoro-N,N-bis(trifluoromethylsulfanyl)methanesulfonamide

C3F9NO2S3 — CID 23235790

IUPAC1,1,1-trifluoro-N,N-bis(trifluoromethylsulfanyl)methanesulfonamide
SMILESO=S(=O)(N(SC(F)(F)F)SC(F)(F)F)C(F)(F)F
InChIInChI=1S/C3F9NO2S3/c4-1(5,6)16-13(17-2(7,8)9)18(14,15)3(10,11)12
InChIKeyBZNPLDVTUNHGHC-UHFFFAOYSA-N
MW349.22 g/mol
LogP3.47
Rot. Bonds3

About 1,1,1-trifluoro-N,N-bis(trifluoromethylsulfanyl)methanesulfonamide

1,1,1-trifluoro-N,N-bis(trifluoromethylsulfanyl)methanesulfonamide (PubChem CID 23235790) has the molecular formula C3F9NO2S3 and a molecular weight of 349.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-N,N-bis(trifluoromethylsulfanyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N,N-bis(trifluoromethylsulfanyl)methanesulfonamide
PubChem CID23235790
Molecular FormulaC3F9NO2S3
Molecular Weight349.22 g/mol
Exact Mass348.89
IUPAC Name1,1,1-trifluoro-N,N-bis(trifluoromethylsulfanyl)methanesulfonamide
SMILESO=S(=O)(N(SC(F)(F)F)SC(F)(F)F)C(F)(F)F
InChIInChI=1S/C3F9NO2S3/c4-1(5,6)16-13(17-2(7,8)9)18(14,15)3(10,11)12
InChIKeyBZNPLDVTUNHGHC-UHFFFAOYSA-N
XLogP3.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,1,1-trifluoro-N,N-bis(trifluoromethylsulfanyl)methanesulfonamide 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

Bis(trifluoromethane)sulfonimide
CID 157857
Lithium Bis(Trifluoromethanesulfonyl)Imide
CID 87103854
Lithium bis((trifluoromethyl)sulfonyl)azanide
CID 3816071
S-(Trifluoromethyl) Trifluoromethanesulfonothioate
CID 11817163
Cesium bis(trifluoromethanesulfonyl)imide
CID 101771832
Sodium bis(trifluoromethylsulfonyl)imide
CID 131887538
Potassium Bis(trifluoromethanesulfonyl)imide
CID 11099217
Silver Bis(trifluoromethanesulfonyl)imide
CID 11383651
N-Propyl-Methyl Piperidinium Bis(trifluoroMethylsulfonyl)Imide
CID 4176748
Methanesulfonamide, N,1,1,1-tetrafluoro-N-[(trifluoromethyl)sulfonyl]-
CID 9796313
1,1,1-trifluoro-N-[S-(trifluoromethyl)-N-(trifluoromethylsulfonyl)sulfonimidoyl]methanesulfonamide
CID 11775279
1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonimidic acid
CID 58591885

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N,N-bis(trifluoromethylsulfanyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N,N-bis(trifluoromethylsulfanyl)methanesulfonamide (CID 23235790) is 1,1,1-trifluoro-N,N-bis(trifluoromethylsulfanyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N,N-bis(trifluoromethylsulfanyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N,N-bis(trifluoromethylsulfanyl)methanesulfonamide is O=S(=O)(N(SC(F)(F)F)SC(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N,N-bis(trifluoromethylsulfanyl)methanesulfonamide?
The InChIKey is BZNPLDVTUNHGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F9NO2S3/c4-1(5,6)16-13(17-2(7,8)9)18(14,15)3(10,11)12.
What are the key properties of 1,1,1-trifluoro-N,N-bis(trifluoromethylsulfanyl)methanesulfonamide?
1,1,1-trifluoro-N,N-bis(trifluoromethylsulfanyl)methanesulfonamide has a molecular weight of 349.22 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N,N-bis(trifluoromethylsulfanyl)methanesulfonamide is sourced from PubChem (CID 23235790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).