N-butyl-N-(2,2,2-trifluoroethyl)methanesulfonamide

C7H14F3NO2S — CID 63932239

IUPACN-butyl-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCCCCN(CC(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C7H14F3NO2S/c1-3-4-5-11(14(2,12)13)6-7(8,9)10/h3-6H2,1-2H3
InChIKeyHAIYVDXFTJWGKG-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.61
Rot. Bonds5

About N-butyl-N-(2,2,2-trifluoroethyl)methanesulfonamide

N-butyl-N-(2,2,2-trifluoroethyl)methanesulfonamide (PubChem CID 63932239) has the molecular formula C7H14F3NO2S and a molecular weight of 233.25 g/mol. Its IUPAC name is N-butyl-N-(2,2,2-trifluoroethyl)methanesulfonamide.

Molecular Properties

Compound NameN-butyl-N-(2,2,2-trifluoroethyl)methanesulfonamide
PubChem CID63932239
Molecular FormulaC7H14F3NO2S
Molecular Weight233.25 g/mol
Exact Mass233.07
IUPAC NameN-butyl-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCCCCN(CC(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C7H14F3NO2S/c1-3-4-5-11(14(2,12)13)6-7(8,9)10/h3-6H2,1-2H3
InChIKeyHAIYVDXFTJWGKG-UHFFFAOYSA-N
XLogP1.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-butyl-N-(2,2,2-trifluoroethyl)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

N,N-Diethyl-1,1,1-trifluoromethanesulfonamide
CID 17751979
1-[(Trifluoromethyl)sulfonyl]pyrrolidine
CID 53837543
N-diethyldifluoromethanesulfonamide
CID 58436046
3-Fluoro-1-methylsulfonylpyrrolidine
CID 124085433
N-butyl-N-ethynyl-1,1,1-trifluoromethanesulfonamide
CID 134987468
Methylsulphonamide, N-ethyl-N-butyl-
CID 60643269
Tributylmethylammonium trifluoromethanesulfonate
CID 11325541
1,1,1-trifluoro-N,N-di(propan-2-yl)methanesulfonamide
CID 17751980
N,N-dibutyl-1,1,1-trifluoromethanesulfonamide
CID 17752786
[N-(dibutylsulfamoyl)-S-(difluoromethyl)sulfonimidoyl] hypofluorite
CID 20705427
[S-(difluoromethyl)-N-(dipropylsulfamoyl)sulfonimidoyl] hypofluorite
CID 20705456
3,3-Difluoro-1-methylsulfonylpyrrolidine
CID 57578700

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The IUPAC name of N-butyl-N-(2,2,2-trifluoroethyl)methanesulfonamide (CID 63932239) is N-butyl-N-(2,2,2-trifluoroethyl)methanesulfonamide.
What is the SMILES notation for N-butyl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The canonical SMILES for N-butyl-N-(2,2,2-trifluoroethyl)methanesulfonamide is CCCCN(CC(F)(F)F)S(C)(=O)=O.
What is the InChIKey of N-butyl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The InChIKey is HAIYVDXFTJWGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO2S/c1-3-4-5-11(14(2,12)13)6-7(8,9)10/h3-6H2,1-2H3.
What are the key properties of N-butyl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
N-butyl-N-(2,2,2-trifluoroethyl)methanesulfonamide has a molecular weight of 233.25 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2,2,2-trifluoroethyl)methanesulfonamide is sourced from PubChem (CID 63932239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).