N-(2-amino-2-ethylbutyl)-3-fluoro-4-methylbenzenesulfonamide;hydrochloride

C13H22ClFN2O2S — CID 119989684

IUPACN-(2-amino-2-ethylbutyl)-3-fluoro-4-methylbenzenesulfonamide;hydrochloride
SMILESCCC(N)(CC)CNS(=O)(=O)c1ccc(C)c(F)c1.Cl
InChIInChI=1S/C13H21FN2O2S.ClH/c1-4-13(15,5-2)9-16-19(17,18)11-7-6-10(3)12(14)8-11;/h6-8,16H,4-5,9,15H2,1-3H3;1H
InChIKeyBYMRZSMGKFTNPG-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.35
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-3-fluoro-4-methylbenzenesulfonamide;hydrochloride

N-(2-amino-2-ethylbutyl)-3-fluoro-4-methylbenzenesulfonamide;hydrochloride (PubChem CID 119989684) has the molecular formula C13H22ClFN2O2S and a molecular weight of 324.85 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-fluoro-4-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-fluoro-4-methylbenzenesulfonamide;hydrochloride
PubChem CID119989684
Molecular FormulaC13H22ClFN2O2S
Molecular Weight324.85 g/mol
Exact Mass324.11
IUPAC NameN-(2-amino-2-ethylbutyl)-3-fluoro-4-methylbenzenesulfonamide;hydrochloride
SMILESCCC(N)(CC)CNS(=O)(=O)c1ccc(C)c(F)c1.Cl
InChIInChI=1S/C13H21FN2O2S.ClH/c1-4-13(15,5-2)9-16-19(17,18)11-7-6-10(3)12(14)8-11;/h6-8,16H,4-5,9,15H2,1-3H3;1H
InChIKeyBYMRZSMGKFTNPG-UHFFFAOYSA-N
XLogP2.35
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)-3-fluoro-4-(methanesulfonamido)benzenesulfonamide;hydrochloride
CID 119989920
3-fluoro-N-(2-hydroxy-2-methylbutyl)-4-methylbenzenesulfonamide
CID 65112867
N-(2-amino-2-ethylbutyl)-3-methyl-4-nitrobenzenesulfonamide;hydrochloride
CID 119990091
N-(2-amino-2-ethylbutyl)-4-(difluoromethoxy)-3-fluorobenzenesulfonamide
CID 120875444
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66171813
N-(2-amino-2-ethylbutyl)-4-fluoro-2-methylbenzenesulfonamide;hydrochloride
CID 119990013
N-(2-amino-2-ethylbutyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107328336
N-(2-amino-2-methylpropyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988055
N-(2-amino-2-ethylbutyl)-3-bromobenzenesulfonamide;hydrochloride
CID 119990005
N-(2-amino-2-ethylbutyl)-2-fluoro-4-methylbenzenesulfonamide
CID 119989897
3-fluoro-N-[3-(methanesulfonamido)propyl]-4-methylbenzenesulfonamide
CID 39634777
N-[2-(aminomethyl)-2-ethylbutyl]-3,4-difluorobenzenesulfonamide
CID 106251271

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-fluoro-4-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-fluoro-4-methylbenzenesulfonamide;hydrochloride (CID 119989684) is N-(2-amino-2-ethylbutyl)-3-fluoro-4-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-fluoro-4-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-fluoro-4-methylbenzenesulfonamide;hydrochloride is CCC(N)(CC)CNS(=O)(=O)c1ccc(C)c(F)c1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-fluoro-4-methylbenzenesulfonamide;hydrochloride?
The InChIKey is BYMRZSMGKFTNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2S.ClH/c1-4-13(15,5-2)9-16-19(17,18)11-7-6-10(3)12(14)8-11;/h6-8,16H,4-5,9,15H2,1-3H3;1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-3-fluoro-4-methylbenzenesulfonamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-3-fluoro-4-methylbenzenesulfonamide;hydrochloride has a molecular weight of 324.85 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-fluoro-4-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119989684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).