N-tert-butyl-1-(trifluoromethyl)cyclopropane-1-sulfonamide

C8H14F3NO2S — CID 73425286

IUPACN-tert-butyl-1-(trifluoromethyl)cyclopropane-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)C1(C(F)(F)F)CC1
InChIInChI=1S/C8H14F3NO2S/c1-6(2,3)12-15(13,14)7(4-5-7)8(9,10)11/h12H,4-5H2,1-3H3
InChIKeyZMEJNXYQBHGRKZ-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.80
Rot. Bonds2

About N-tert-butyl-1-(trifluoromethyl)cyclopropane-1-sulfonamide

N-tert-butyl-1-(trifluoromethyl)cyclopropane-1-sulfonamide (PubChem CID 73425286) has the molecular formula C8H14F3NO2S and a molecular weight of 245.27 g/mol. Its IUPAC name is N-tert-butyl-1-(trifluoromethyl)cyclopropane-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-1-(trifluoromethyl)cyclopropane-1-sulfonamide
PubChem CID73425286
Molecular FormulaC8H14F3NO2S
Molecular Weight245.27 g/mol
Exact Mass245.07
IUPAC NameN-tert-butyl-1-(trifluoromethyl)cyclopropane-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)C1(C(F)(F)F)CC1
InChIInChI=1S/C8H14F3NO2S/c1-6(2,3)12-15(13,14)7(4-5-7)8(9,10)11/h12H,4-5H2,1-3H3
InChIKeyZMEJNXYQBHGRKZ-UHFFFAOYSA-N
XLogP1.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(trifluoromethyl)cyclopropane-1-sulfonamide?
The IUPAC name of N-tert-butyl-1-(trifluoromethyl)cyclopropane-1-sulfonamide (CID 73425286) is N-tert-butyl-1-(trifluoromethyl)cyclopropane-1-sulfonamide.
What is the SMILES notation for N-tert-butyl-1-(trifluoromethyl)cyclopropane-1-sulfonamide?
The canonical SMILES for N-tert-butyl-1-(trifluoromethyl)cyclopropane-1-sulfonamide is CC(C)(C)NS(=O)(=O)C1(C(F)(F)F)CC1.
What is the InChIKey of N-tert-butyl-1-(trifluoromethyl)cyclopropane-1-sulfonamide?
The InChIKey is ZMEJNXYQBHGRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2S/c1-6(2,3)12-15(13,14)7(4-5-7)8(9,10)11/h12H,4-5H2,1-3H3.
What are the key properties of N-tert-butyl-1-(trifluoromethyl)cyclopropane-1-sulfonamide?
N-tert-butyl-1-(trifluoromethyl)cyclopropane-1-sulfonamide has a molecular weight of 245.27 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(trifluoromethyl)cyclopropane-1-sulfonamide is sourced from PubChem (CID 73425286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).