N-(2-amino-2-ethylbutyl)-6-(trifluoromethyl)pyridine-3-sulfonamide

C12H18F3N3O2S — CID 120711887

IUPACN-(2-amino-2-ethylbutyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCCC(N)(CC)CNS(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H18F3N3O2S/c1-3-11(16,4-2)8-18-21(19,20)9-5-6-10(17-7-9)12(13,14)15/h5-7,18H,3-4,8,16H2,1-2H3
InChIKeyNRBMBGQGZOHWKE-UHFFFAOYSA-N
MW325.36 g/mol
LogP1.90
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-6-(trifluoromethyl)pyridine-3-sulfonamide

N-(2-amino-2-ethylbutyl)-6-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 120711887) has the molecular formula C12H18F3N3O2S and a molecular weight of 325.36 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-6-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID120711887
Molecular FormulaC12H18F3N3O2S
Molecular Weight325.36 g/mol
Exact Mass325.11
IUPAC NameN-(2-amino-2-ethylbutyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCCC(N)(CC)CNS(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H18F3N3O2S/c1-3-11(16,4-2)8-18-21(19,20)9-5-6-10(17-7-9)12(13,14)15/h5-7,18H,3-4,8,16H2,1-2H3
InChIKeyNRBMBGQGZOHWKE-UHFFFAOYSA-N
XLogP1.90
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S,3S)-2-ethyl-3-hydroxy-2-methylbutyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 97349839
N-(2-amino-2-ethylbutyl)-4-(2-ethoxyethoxy)benzenesulfonamide
CID 119990079
N-(2-amino-2-ethylbutyl)-4-(methylsulfonylmethyl)benzenesulfonamide
CID 119990095
N-(2-amino-2-ethylbutyl)-3-fluoro-4-methylbenzenesulfonamide;hydrochloride
CID 119989684
N-(2-amino-2-ethylbutyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
CID 120875459
N-(2-hydroxy-3-methylpentyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 75476540
N-(2-amino-2-ethylbutyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide
CID 119989827
6-(trifluoromethyl)pyridine-3-sulfonamide
CID 59268886
N-(2-amino-2-ethylbutyl)-4-(cyanomethyl)benzenesulfonamide
CID 75430809
1-N-(2-amino-2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-disulfonamide
CID 119988277
N-(2-amino-2-ethylbutyl)-3-fluoro-4-(methanesulfonamido)benzenesulfonamide;hydrochloride
CID 119989920
N-(2-amino-2-ethylbutyl)-3-ethylbenzenesulfonamide
CID 119990108

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-6-(trifluoromethyl)pyridine-3-sulfonamide (CID 120711887) is N-(2-amino-2-ethylbutyl)-6-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-6-(trifluoromethyl)pyridine-3-sulfonamide is CCC(N)(CC)CNS(=O)(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is NRBMBGQGZOHWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2S/c1-3-11(16,4-2)8-18-21(19,20)9-5-6-10(17-7-9)12(13,14)15/h5-7,18H,3-4,8,16H2,1-2H3.
What are the key properties of N-(2-amino-2-ethylbutyl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
N-(2-amino-2-ethylbutyl)-6-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 325.36 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-6-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 120711887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).