N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride

C11H18ClFN2O2S — CID 119988176

IUPACN-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride
SMILESCC(C)(N)CNS(=O)(=O)Cc1ccc(F)cc1.Cl
InChIInChI=1S/C11H17FN2O2S.ClH/c1-11(2,13)8-14-17(15,16)7-9-3-5-10(12)6-4-9;/h3-6,14H,7-8,13H2,1-2H3;1H
InChIKeyXYVDGUQJZOWRSM-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.40
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride

N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride (PubChem CID 119988176) has the molecular formula C11H18ClFN2O2S and a molecular weight of 296.80 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride
PubChem CID119988176
Molecular FormulaC11H18ClFN2O2S
Molecular Weight296.80 g/mol
Exact Mass296.08
IUPAC NameN-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride
SMILESCC(C)(N)CNS(=O)(=O)Cc1ccc(F)cc1.Cl
InChIInChI=1S/C11H17FN2O2S.ClH/c1-11(2,13)8-14-17(15,16)7-9-3-5-10(12)6-4-9;/h3-6,14H,7-8,13H2,1-2H3;1H
InChIKeyXYVDGUQJZOWRSM-UHFFFAOYSA-N
XLogP1.40
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride
CID 119988167
1-(4-fluorophenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]methanesulfonamide
CID 90599242
1-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]methanesulfonamide
CID 95984165
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(4-fluorophenyl)methanesulfonamide
CID 52907137
N-(4,4-dimethylpentyl)-1-(4-fluorophenyl)methanesulfonamide
CID 110421113
1-(4-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide
CID 94616410
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 30400180
1-(4-fluorophenyl)-N-[2-(propylamino)ethyl]methanesulfonamide;hydrochloride
CID 120716079
1-(4-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 22597146
1-(4-fluorophenyl)-N-(2-hydroxypropyl)methanesulfonamide
CID 43502310
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-(4-fluorophenyl)methanesulfonamide
CID 90535501
1-[4-[(4-fluorophenyl)methylamino]phenyl]-N-methylmethanesulfonamide
CID 110170599

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride (CID 119988176) is N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride is CC(C)(N)CNS(=O)(=O)Cc1ccc(F)cc1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride?
The InChIKey is XYVDGUQJZOWRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2S.ClH/c1-11(2,13)8-14-17(15,16)7-9-3-5-10(12)6-4-9;/h3-6,14H,7-8,13H2,1-2H3;1H.
What are the key properties of N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride?
N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride has a molecular weight of 296.80 g/mol, XLogP of 1.40, 5 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)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 119988176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).