N-[3,3-dimethyl-2-(trifluoromethyl)butyl]propane-2-sulfonamide

C10H20F3NO2S — CID 167554028

IUPACN-[3,3-dimethyl-2-(trifluoromethyl)butyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC(C(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H20F3NO2S/c1-7(2)17(15,16)14-6-8(9(3,4)5)10(11,12)13/h7-8,14H,6H2,1-5H3
InChIKeyBPELCXZLOZIYFK-UHFFFAOYSA-N
MW275.34 g/mol
LogP2.54
Rot. Bonds4

About N-[3,3-dimethyl-2-(trifluoromethyl)butyl]propane-2-sulfonamide

N-[3,3-dimethyl-2-(trifluoromethyl)butyl]propane-2-sulfonamide (PubChem CID 167554028) has the molecular formula C10H20F3NO2S and a molecular weight of 275.34 g/mol. Its IUPAC name is N-[3,3-dimethyl-2-(trifluoromethyl)butyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[3,3-dimethyl-2-(trifluoromethyl)butyl]propane-2-sulfonamide
PubChem CID167554028
Molecular FormulaC10H20F3NO2S
Molecular Weight275.34 g/mol
Exact Mass275.12
IUPAC NameN-[3,3-dimethyl-2-(trifluoromethyl)butyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC(C(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H20F3NO2S/c1-7(2)17(15,16)14-6-8(9(3,4)5)10(11,12)13/h7-8,14H,6H2,1-5H3
InChIKeyBPELCXZLOZIYFK-UHFFFAOYSA-N
XLogP2.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3,3-dimethyl-2-(trifluoromethyl)butyl]propane-2-sulfonamide?
The IUPAC name of N-[3,3-dimethyl-2-(trifluoromethyl)butyl]propane-2-sulfonamide (CID 167554028) is N-[3,3-dimethyl-2-(trifluoromethyl)butyl]propane-2-sulfonamide.
What is the SMILES notation for N-[3,3-dimethyl-2-(trifluoromethyl)butyl]propane-2-sulfonamide?
The canonical SMILES for N-[3,3-dimethyl-2-(trifluoromethyl)butyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCC(C(C)(C)C)C(F)(F)F.
What is the InChIKey of N-[3,3-dimethyl-2-(trifluoromethyl)butyl]propane-2-sulfonamide?
The InChIKey is BPELCXZLOZIYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2S/c1-7(2)17(15,16)14-6-8(9(3,4)5)10(11,12)13/h7-8,14H,6H2,1-5H3.
What are the key properties of N-[3,3-dimethyl-2-(trifluoromethyl)butyl]propane-2-sulfonamide?
N-[3,3-dimethyl-2-(trifluoromethyl)butyl]propane-2-sulfonamide has a molecular weight of 275.34 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-dimethyl-2-(trifluoromethyl)butyl]propane-2-sulfonamide is sourced from PubChem (CID 167554028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).