N-tert-butyl-3-(trifluoromethyl)pyridine-2-sulfonamide

C10H13F3N2O2S — CID 123751647

IUPACN-tert-butyl-3-(trifluoromethyl)pyridine-2-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ncccc1C(F)(F)F
InChIInChI=1S/C10H13F3N2O2S/c1-9(2,3)15-18(16,17)8-7(10(11,12)13)5-4-6-14-8/h4-6,15H,1-3H3
InChIKeyQVGYOGXYTCZYSH-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.18
Rot. Bonds2

About N-tert-butyl-3-(trifluoromethyl)pyridine-2-sulfonamide

N-tert-butyl-3-(trifluoromethyl)pyridine-2-sulfonamide (PubChem CID 123751647) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is N-tert-butyl-3-(trifluoromethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-3-(trifluoromethyl)pyridine-2-sulfonamide
PubChem CID123751647
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC NameN-tert-butyl-3-(trifluoromethyl)pyridine-2-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ncccc1C(F)(F)F
InChIInChI=1S/C10H13F3N2O2S/c1-9(2,3)15-18(16,17)8-7(10(11,12)13)5-4-6-14-8/h4-6,15H,1-3H3
InChIKeyQVGYOGXYTCZYSH-UHFFFAOYSA-N
XLogP2.18
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-3-(trifluoromethyl)pyridine-2-sulfonamide 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

3-(Trifluoromethyl)pyridine-2-sulfonamide
CID 13910921
5-Aminopyridine-2-sulfonamide
CID 22313850
1-Butyl-3-methylpyridinium trifluoromethanesulfonate
CID 23079882
4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 688002
4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 795996
N-[5-(trifluoromethyl)pyridin-2-yl]benzenesulfonamide
CID 2815858
Pyridine sulfonamide
CID 12000791
1-Ethyl-3-methylpyridinium perfluorobutanesulfonate
CID 87508944
Gtps (ssre-018)
CID 146030227
4-fluoro-N'-[(1Z)-1-(pyridin-4-yl)ethylidene]benzenesulfonohydrazide
CID 25237590
3-Pyridyl{[3-(trifluoromethyl)phenyl]sulfonyl}amine
CID 697901
N-Pyridin-4-ylmethyl-benzenesulfonamide
CID 818674

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(trifluoromethyl)pyridine-2-sulfonamide?
The IUPAC name of N-tert-butyl-3-(trifluoromethyl)pyridine-2-sulfonamide (CID 123751647) is N-tert-butyl-3-(trifluoromethyl)pyridine-2-sulfonamide.
What is the SMILES notation for N-tert-butyl-3-(trifluoromethyl)pyridine-2-sulfonamide?
The canonical SMILES for N-tert-butyl-3-(trifluoromethyl)pyridine-2-sulfonamide is CC(C)(C)NS(=O)(=O)c1ncccc1C(F)(F)F.
What is the InChIKey of N-tert-butyl-3-(trifluoromethyl)pyridine-2-sulfonamide?
The InChIKey is QVGYOGXYTCZYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-9(2,3)15-18(16,17)8-7(10(11,12)13)5-4-6-14-8/h4-6,15H,1-3H3.
What are the key properties of N-tert-butyl-3-(trifluoromethyl)pyridine-2-sulfonamide?
N-tert-butyl-3-(trifluoromethyl)pyridine-2-sulfonamide has a molecular weight of 282.29 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(trifluoromethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 123751647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).