N-(2-amino-2-methylpropyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride

C12H18ClF3N2O2S — CID 119988055

IUPACN-(2-amino-2-methylpropyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NCC(C)(C)N)cc1C(F)(F)F.Cl
InChIInChI=1S/C12H17F3N2O2S.ClH/c1-8-4-5-9(6-10(8)12(13,14)15)20(18,19)17-7-11(2,3)16;/h4-6,17H,7,16H2,1-3H3;1H
InChIKeyUNXPXKAJLNQMSA-UHFFFAOYSA-N
MW346.80 g/mol
LogP2.45
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride

N-(2-amino-2-methylpropyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride (PubChem CID 119988055) has the molecular formula C12H18ClF3N2O2S and a molecular weight of 346.80 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
PubChem CID119988055
Molecular FormulaC12H18ClF3N2O2S
Molecular Weight346.80 g/mol
Exact Mass346.07
IUPAC NameN-(2-amino-2-methylpropyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NCC(C)(C)N)cc1C(F)(F)F.Cl
InChIInChI=1S/C12H17F3N2O2S.ClH/c1-8-4-5-9(6-10(8)12(13,14)15)20(18,19)17-7-11(2,3)16;/h4-6,17H,7,16H2,1-3H3;1H
InChIKeyUNXPXKAJLNQMSA-UHFFFAOYSA-N
XLogP2.45
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.80
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-4-cyano-3-(trifluoromethyl)benzenesulfonamide
CID 119988446
4-methyl-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 119972929
N-(4-aminobutyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 120583345
N-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988015
N-(2-amino-2-methylpropyl)-4-methyl-3-nitrobenzenesulfonamide;hydrochloride
CID 119988333
1-N-(2-amino-2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-disulfonamide
CID 119988277
N-(2-amino-2-methylpropyl)-4-bromo-3-methylbenzenesulfonamide
CID 115303618
N-(2-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride
CID 119988167
4-methyl-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide
CID 120825538
N-(2-amino-2-ethylbutyl)-3-fluoro-4-methylbenzenesulfonamide;hydrochloride
CID 119989684
N-ethyl-2-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 51102093
N-[(2R)-2-(ethylamino)propyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 120665056

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride (CID 119988055) is N-(2-amino-2-methylpropyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride is Cc1ccc(S(=O)(=O)NCC(C)(C)N)cc1C(F)(F)F.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The InChIKey is UNXPXKAJLNQMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2S.ClH/c1-8-4-5-9(6-10(8)12(13,14)15)20(18,19)17-7-11(2,3)16;/h4-6,17H,7,16H2,1-3H3;1H.
What are the key properties of N-(2-amino-2-methylpropyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
N-(2-amino-2-methylpropyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride has a molecular weight of 346.80 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119988055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).