N-(2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide

C10H20F3NO2S — CID 115967603

IUPACN-(2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCC(CC)CNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H20F3NO2S/c1-3-9(4-2)8-14-17(15,16)7-5-6-10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeyYRNHGHLGIOUUDP-UHFFFAOYSA-N
MW275.34 g/mol
LogP2.68
Rot. Bonds8

About N-(2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide

N-(2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 115967603) has the molecular formula C10H20F3NO2S and a molecular weight of 275.34 g/mol. Its IUPAC name is N-(2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID115967603
Molecular FormulaC10H20F3NO2S
Molecular Weight275.34 g/mol
Exact Mass275.12
IUPAC NameN-(2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCC(CC)CNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H20F3NO2S/c1-3-9(4-2)8-14-17(15,16)7-5-6-10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeyYRNHGHLGIOUUDP-UHFFFAOYSA-N
XLogP2.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide (CID 115967603) is N-(2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide is CCC(CC)CNS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is YRNHGHLGIOUUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2S/c1-3-9(4-2)8-14-17(15,16)7-5-6-10(11,12)13/h9,14H,3-8H2,1-2H3.
What are the key properties of N-(2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 275.34 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 115967603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).