N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-(trifluoromethyl)benzenesulfonamide;hydrochloride

C11H15BrClF3N2O2S — CID 119975578

IUPACN-(1-amino-2-methylpropan-2-yl)-4-bromo-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCC(C)(CN)NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C11H14BrF3N2O2S.ClH/c1-10(2,6-16)17-20(18,19)7-3-4-9(12)8(5-7)11(13,14)15;/h3-5,17H,6,16H2,1-2H3;1H
InChIKeyLFAVIGHAHCPZJZ-UHFFFAOYSA-N
MW411.67 g/mol
LogP2.91
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-(trifluoromethyl)benzenesulfonamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-(trifluoromethyl)benzenesulfonamide;hydrochloride (PubChem CID 119975578) has the molecular formula C11H15BrClF3N2O2S and a molecular weight of 411.67 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-(trifluoromethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-4-bromo-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
PubChem CID119975578
Molecular FormulaC11H15BrClF3N2O2S
Molecular Weight411.67 g/mol
Exact Mass409.97
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-4-bromo-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCC(C)(CN)NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C11H14BrF3N2O2S.ClH/c1-10(2,6-16)17-20(18,19)7-3-4-9(12)8(5-7)11(13,14)15;/h3-5,17H,6,16H2,1-2H3;1H
InChIKeyLFAVIGHAHCPZJZ-UHFFFAOYSA-N
XLogP2.91
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.67
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-methoxybenzenesulfonamide;hydrochloride
CID 119975779
N-(1-amino-2-methylpropan-2-yl)-3-bromo-4-ethoxybenzenesulfonamide;hydrochloride
CID 119975663
N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-methoxybenzenesulfonamide
CID 119975780
N-(1-amino-2-methylpropan-2-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119975376
N-(1-amino-2-methylpropan-2-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
CID 120709191
N-(1-amino-2-methylpropan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119975374
1-bromo-4-[4-bromo-3-(trifluoromethyl)phenyl]sulfonyl-2-(trifluoromethyl)benzene
CID 175050913
4-bromo-N-(2,2-difluoroethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 165368885
N-(1-amino-2-methylpropan-2-yl)-4-ethoxybenzenesulfonamide;hydrochloride
CID 119975728
N-(1-amino-2-methylpropan-2-yl)-3-bromo-4-methyl-5-nitrobenzenesulfonamide
CID 119975655
4-bromo-N-(3,5-difluorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000747
4-bromo-N-cyclobutyl-3-(trifluoromethyl)benzenesulfonamide
CID 165368850

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-(trifluoromethyl)benzenesulfonamide;hydrochloride (CID 119975578) is N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-(trifluoromethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-(trifluoromethyl)benzenesulfonamide;hydrochloride is CC(C)(CN)NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The InChIKey is LFAVIGHAHCPZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF3N2O2S.ClH/c1-10(2,6-16)17-20(18,19)7-3-4-9(12)8(5-7)11(13,14)15;/h3-5,17H,6,16H2,1-2H3;1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-(trifluoromethyl)benzenesulfonamide;hydrochloride has a molecular weight of 411.67 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-(trifluoromethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119975578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).