N-(2-amino-4-methylpentyl)-3-(trifluoromethyl)benzenesulfonamide

C13H19F3N2O2S — CID 43606280

IUPACN-(2-amino-4-methylpentyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)CC(N)CNS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H19F3N2O2S/c1-9(2)6-11(17)8-18-21(19,20)12-5-3-4-10(7-12)13(14,15)16/h3-5,7,9,11,18H,6,8,17H2,1-2H3
InChIKeyNNTWRWJLDBGDSF-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.36
Rot. Bonds6

About N-(2-amino-4-methylpentyl)-3-(trifluoromethyl)benzenesulfonamide

N-(2-amino-4-methylpentyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 43606280) has the molecular formula C13H19F3N2O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is N-(2-amino-4-methylpentyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-methylpentyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID43606280
Molecular FormulaC13H19F3N2O2S
Molecular Weight324.37 g/mol
Exact Mass324.11
IUPAC NameN-(2-amino-4-methylpentyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)CC(N)CNS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H19F3N2O2S/c1-9(2)6-11(17)8-18-21(19,20)12-5-3-4-10(7-12)13(14,15)16/h3-5,7,9,11,18H,6,8,17H2,1-2H3
InChIKeyNNTWRWJLDBGDSF-UHFFFAOYSA-N
XLogP2.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 43012056
N-(3,3,3-trifluoro-2-hydroxypropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 103833984
N-(2-amino-4-methylpentyl)-3-cyanobenzenesulfonamide
CID 43606402
N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3312193
N-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988015
N-(3-bromobutyl)-3-(trifluoromethyl)benzenesulfonamide
CID 113271804
N-(2-bromo-3-methoxypropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 114296184
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 90534857
N-(cyanomethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3780840
2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanethioamide
CID 61124235
2-methyl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 80537664
N-(3-amino-4-methylpentyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride
CID 119660989

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylpentyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-amino-4-methylpentyl)-3-(trifluoromethyl)benzenesulfonamide (CID 43606280) is N-(2-amino-4-methylpentyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-amino-4-methylpentyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-amino-4-methylpentyl)-3-(trifluoromethyl)benzenesulfonamide is CC(C)CC(N)CNS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-amino-4-methylpentyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is NNTWRWJLDBGDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2S/c1-9(2)6-11(17)8-18-21(19,20)12-5-3-4-10(7-12)13(14,15)16/h3-5,7,9,11,18H,6,8,17H2,1-2H3.
What are the key properties of N-(2-amino-4-methylpentyl)-3-(trifluoromethyl)benzenesulfonamide?
N-(2-amino-4-methylpentyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 324.37 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylpentyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 43606280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).