N-(1-amino-2-methylpropan-2-yl)-N-ethyl-2-(trifluoromethyl)benzenesulfonamide

C13H19F3N2O2S — CID 62008042

IUPACN-(1-amino-2-methylpropan-2-yl)-N-ethyl-2-(trifluoromethyl)benzenesulfonamide
SMILESCCN(C(C)(C)CN)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H19F3N2O2S/c1-4-18(12(2,3)9-17)21(19,20)11-8-6-5-7-10(11)13(14,15)16/h5-8H,4,9,17H2,1-3H3
InChIKeyLIRBLDFJCDHVJO-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.45
Rot. Bonds5

About N-(1-amino-2-methylpropan-2-yl)-N-ethyl-2-(trifluoromethyl)benzenesulfonamide

N-(1-amino-2-methylpropan-2-yl)-N-ethyl-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 62008042) has the molecular formula C13H19F3N2O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-N-ethyl-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-N-ethyl-2-(trifluoromethyl)benzenesulfonamide
PubChem CID62008042
Molecular FormulaC13H19F3N2O2S
Molecular Weight324.37 g/mol
Exact Mass324.11
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-N-ethyl-2-(trifluoromethyl)benzenesulfonamide
SMILESCCN(C(C)(C)CN)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H19F3N2O2S/c1-4-18(12(2,3)9-17)21(19,20)11-8-6-5-7-10(11)13(14,15)16/h5-8H,4,9,17H2,1-3H3
InChIKeyLIRBLDFJCDHVJO-UHFFFAOYSA-N
XLogP2.45
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-N-ethyl-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-N-ethyl-2-(trifluoromethyl)benzenesulfonamide (CID 62008042) is N-(1-amino-2-methylpropan-2-yl)-N-ethyl-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-N-ethyl-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-N-ethyl-2-(trifluoromethyl)benzenesulfonamide is CCN(C(C)(C)CN)S(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-N-ethyl-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is LIRBLDFJCDHVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2S/c1-4-18(12(2,3)9-17)21(19,20)11-8-6-5-7-10(11)13(14,15)16/h5-8H,4,9,17H2,1-3H3.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-N-ethyl-2-(trifluoromethyl)benzenesulfonamide?
N-(1-amino-2-methylpropan-2-yl)-N-ethyl-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 324.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-N-ethyl-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 62008042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).