N-(2-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride

C10H16ClFN2O2S — CID 119988167

IUPACN-(2-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride
SMILESCC(C)(N)CNS(=O)(=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C10H15FN2O2S.ClH/c1-10(2,12)7-13-16(14,15)9-5-3-8(11)4-6-9;/h3-6,13H,7,12H2,1-2H3;1H
InChIKeyOYFRMQSRVSELMW-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.26
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride

N-(2-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride (PubChem CID 119988167) has the molecular formula C10H16ClFN2O2S and a molecular weight of 282.77 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride
PubChem CID119988167
Molecular FormulaC10H16ClFN2O2S
Molecular Weight282.77 g/mol
Exact Mass282.06
IUPAC NameN-(2-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride
SMILESCC(C)(N)CNS(=O)(=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C10H15FN2O2S.ClH/c1-10(2,12)7-13-16(14,15)9-5-3-8(11)4-6-9;/h3-6,13H,7,12H2,1-2H3;1H
InChIKeyOYFRMQSRVSELMW-UHFFFAOYSA-N
XLogP1.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(2-amino-2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-disulfonamide
CID 119988277
N-(2-amino-2-methylpropyl)-4-chlorobenzenesulfonamide;hydrochloride
CID 119988011
N-(2-amino-2-methylpropyl)benzenesulfonamide;hydrochloride
CID 90081725
N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119988328
N-(2-amino-2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride
CID 119988012
N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride
CID 119988176
N-(2-amino-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 115303620
N-(2-amino-2-methylpropyl)-4-butan-2-ylbenzenesulfonamide;hydrochloride
CID 119987953
N-(2-amino-2-methylpropyl)-4-bromo-3-fluorobenzenesulfonamide
CID 103829047
N-(2-cyclopropyl-2-hydroxypropyl)-4-fluorobenzenesulfonamide
CID 90499351
4-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide
CID 113090353
4-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide
CID 90501111

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride (CID 119988167) is N-(2-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride is CC(C)(N)CNS(=O)(=O)c1ccc(F)cc1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride?
The InChIKey is OYFRMQSRVSELMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2S.ClH/c1-10(2,12)7-13-16(14,15)9-5-3-8(11)4-6-9;/h3-6,13H,7,12H2,1-2H3;1H.
What are the key properties of N-(2-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride?
N-(2-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride has a molecular weight of 282.77 g/mol, XLogP of 1.26, 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-fluorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119988167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).