N-(1-aminopropan-2-yl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride

C11H15ClF4N2O2S — CID 119982967

IUPACN-(1-aminopropan-2-yl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCC(CN)N(C)S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C11H14F4N2O2S.ClH/c1-7(6-16)17(2)20(18,19)8-3-4-10(12)9(5-8)11(13,14)15;/h3-5,7H,6,16H2,1-2H3;1H
InChIKeyWNLXEDHQCHBZFO-UHFFFAOYSA-N
MW350.77 g/mol
LogP2.23
Rot. Bonds4

About N-(1-aminopropan-2-yl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride

N-(1-aminopropan-2-yl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride (PubChem CID 119982967) has the molecular formula C11H15ClF4N2O2S and a molecular weight of 350.77 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
PubChem CID119982967
Molecular FormulaC11H15ClF4N2O2S
Molecular Weight350.77 g/mol
Exact Mass350.05
IUPAC NameN-(1-aminopropan-2-yl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCC(CN)N(C)S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C11H14F4N2O2S.ClH/c1-7(6-16)17(2)20(18,19)8-3-4-10(12)9(5-8)11(13,14)15;/h3-5,7H,6,16H2,1-2H3;1H
InChIKeyWNLXEDHQCHBZFO-UHFFFAOYSA-N
XLogP2.23
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.77
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide;hydrochloride
CID 119982997
N-(1-aminopropan-2-yl)-3,4,5-trifluoro-N-methylbenzenesulfonamide
CID 119982906
4-N-(1-aminopropan-2-yl)-1-N,4-N,2-trimethylbenzene-1,4-disulfonamide;hydrochloride
CID 120875211
N-(1-aminopropan-2-yl)-4-ethoxy-N-methylbenzenesulfonamide
CID 119982843
N-(1-aminopropan-2-yl)-4-cyano-N-methylbenzenesulfonamide;hydrochloride
CID 119982419
N-(1-aminopropan-2-yl)-2,4-difluoro-N,5-dimethylbenzenesulfonamide;hydrochloride
CID 119982500
N-(2-amino-1-cyclopentylethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120584913
3-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61114511
3-[(3,4-difluorophenyl)sulfonyl-methylamino]butanethioamide
CID 63223597
N-(1-aminopropan-2-yl)-N-methyl-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120710579
N-(2-aminoethyl)-4-chloro-N-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 62687721
N-(1-aminopropan-2-yl)-2-bromo-5-fluoro-N-methylbenzenesulfonamide;hydrochloride
CID 119982677

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride (CID 119982967) is N-(1-aminopropan-2-yl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride is CC(CN)N(C)S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The InChIKey is WNLXEDHQCHBZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F4N2O2S.ClH/c1-7(6-16)17(2)20(18,19)8-3-4-10(12)9(5-8)11(13,14)15;/h3-5,7H,6,16H2,1-2H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
N-(1-aminopropan-2-yl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride has a molecular weight of 350.77 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119982967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).