4-(5,5-dimethylhexan-2-ylamino)-2-(trifluoromethyl)benzenesulfonamide

C15H23F3N2O2S — CID 133339931

IUPAC4-(5,5-dimethylhexan-2-ylamino)-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(CCC(C)(C)C)Nc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1
InChIInChI=1S/C15H23F3N2O2S/c1-10(7-8-14(2,3)4)20-11-5-6-13(23(19,21)22)12(9-11)15(16,17)18/h5-6,9-10,20H,7-8H2,1-4H3,(H2,19,21,22)
InChIKeyADXOOCYIODOSEG-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.98
Rot. Bonds5

About 4-(5,5-dimethylhexan-2-ylamino)-2-(trifluoromethyl)benzenesulfonamide

4-(5,5-dimethylhexan-2-ylamino)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 133339931) has the molecular formula C15H23F3N2O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 4-(5,5-dimethylhexan-2-ylamino)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(5,5-dimethylhexan-2-ylamino)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID133339931
Molecular FormulaC15H23F3N2O2S
Molecular Weight352.42 g/mol
Exact Mass352.14
IUPAC Name4-(5,5-dimethylhexan-2-ylamino)-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(CCC(C)(C)C)Nc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1
InChIInChI=1S/C15H23F3N2O2S/c1-10(7-8-14(2,3)4)20-11-5-6-13(23(19,21)22)12(9-11)15(16,17)18/h5-6,9-10,20H,7-8H2,1-4H3,(H2,19,21,22)
InChIKeyADXOOCYIODOSEG-UHFFFAOYSA-N
XLogP3.98
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[4-sulfamoyl-3-(trifluoromethyl)anilino]propanoic acid
CID 122049439
4-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-2-(trifluoromethyl)benzenesulfonamide
CID 133340008
N-phenyl-2-[4-sulfamoyl-3-(trifluoromethyl)anilino]propanamide
CID 133339349
4-[1-(4-propan-2-ylsulfanylphenyl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide
CID 133329341
4-[(2-hydroxy-3,3-dimethylbutyl)amino]-2-(trifluoromethyl)benzenesulfonamide
CID 133339413
4-(3-morpholin-4-ylbutan-2-ylamino)-2-(trifluoromethyl)benzenesulfonamide
CID 133329434
4-[1-(2,4-difluorophenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide
CID 133340002
4-[2-(3-methylphenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide
CID 133340231
4-bromo-N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)aniline
CID 64628921
4-[(4-methylcyclohexyl)amino]-2-(trifluoromethyl)benzenesulfonamide
CID 133339090
4-(4-methoxybutan-2-ylamino)-2-(trifluoromethyl)benzoic acid
CID 64605960
4-amino-2-(trifluoromethyl)benzenesulfonamide
CID 10610060

Frequently Asked Questions

What is the IUPAC name of 4-(5,5-dimethylhexan-2-ylamino)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-(5,5-dimethylhexan-2-ylamino)-2-(trifluoromethyl)benzenesulfonamide (CID 133339931) is 4-(5,5-dimethylhexan-2-ylamino)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-(5,5-dimethylhexan-2-ylamino)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-(5,5-dimethylhexan-2-ylamino)-2-(trifluoromethyl)benzenesulfonamide is CC(CCC(C)(C)C)Nc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1.
What is the InChIKey of 4-(5,5-dimethylhexan-2-ylamino)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ADXOOCYIODOSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O2S/c1-10(7-8-14(2,3)4)20-11-5-6-13(23(19,21)22)12(9-11)15(16,17)18/h5-6,9-10,20H,7-8H2,1-4H3,(H2,19,21,22).
What are the key properties of 4-(5,5-dimethylhexan-2-ylamino)-2-(trifluoromethyl)benzenesulfonamide?
4-(5,5-dimethylhexan-2-ylamino)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 352.42 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-dimethylhexan-2-ylamino)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 133339931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).