N-(2-amino-2-ethylbutyl)-2-fluoro-4-methylbenzenesulfonamide

C13H21FN2O2S — CID 119989897

IUPACN-(2-amino-2-ethylbutyl)-2-fluoro-4-methylbenzenesulfonamide
SMILESCCC(N)(CC)CNS(=O)(=O)c1ccc(C)cc1F
InChIInChI=1S/C13H21FN2O2S/c1-4-13(15,5-2)9-16-19(17,18)12-7-6-10(3)8-11(12)14/h6-8,16H,4-5,9,15H2,1-3H3
InChIKeySYFZPTCQLQDYEU-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.93
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-2-fluoro-4-methylbenzenesulfonamide

N-(2-amino-2-ethylbutyl)-2-fluoro-4-methylbenzenesulfonamide (PubChem CID 119989897) has the molecular formula C13H21FN2O2S and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-fluoro-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-fluoro-4-methylbenzenesulfonamide
PubChem CID119989897
Molecular FormulaC13H21FN2O2S
Molecular Weight288.39 g/mol
Exact Mass288.13
IUPAC NameN-(2-amino-2-ethylbutyl)-2-fluoro-4-methylbenzenesulfonamide
SMILESCCC(N)(CC)CNS(=O)(=O)c1ccc(C)cc1F
InChIInChI=1S/C13H21FN2O2S/c1-4-13(15,5-2)9-16-19(17,18)12-7-6-10(3)8-11(12)14/h6-8,16H,4-5,9,15H2,1-3H3
InChIKeySYFZPTCQLQDYEU-UHFFFAOYSA-N
XLogP1.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-fluoro-4-methylbenzenesulfonamide
CID 130158865
N-(2-amino-2-ethylbutyl)-4-fluoro-2-methylbenzenesulfonamide;hydrochloride
CID 119990013
N-(2-aminoethyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride
CID 86814122
N-(4-aminobutyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride
CID 120583305
N-(2-amino-2-ethylbutyl)-3-fluoro-4-methylbenzenesulfonamide;hydrochloride
CID 119989684
N-(2-amino-2-ethylbutyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107328336
2,4-difluoro-N-(2-hydroxy-2-methylbutyl)benzenesulfonamide
CID 65113216
N-(2-amino-2-ethylbutyl)-5-bromo-2-methylbenzenesulfonamide
CID 115306000
N-(2-amino-2-methylpropyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119988451
2-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)-5-methylbenzenesulfonamide
CID 115362967
N-(4-amino-2,2-dimethylbutyl)-2,4-dimethylbenzenesulfonamide
CID 106141546
N-(2-hydroxy-2-methylbutyl)-2,4-dimethylbenzenesulfonamide
CID 65113169

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-fluoro-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-fluoro-4-methylbenzenesulfonamide (CID 119989897) is N-(2-amino-2-ethylbutyl)-2-fluoro-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-fluoro-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-fluoro-4-methylbenzenesulfonamide is CCC(N)(CC)CNS(=O)(=O)c1ccc(C)cc1F.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-fluoro-4-methylbenzenesulfonamide?
The InChIKey is SYFZPTCQLQDYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2S/c1-4-13(15,5-2)9-16-19(17,18)12-7-6-10(3)8-11(12)14/h6-8,16H,4-5,9,15H2,1-3H3.
What are the key properties of N-(2-amino-2-ethylbutyl)-2-fluoro-4-methylbenzenesulfonamide?
N-(2-amino-2-ethylbutyl)-2-fluoro-4-methylbenzenesulfonamide has a molecular weight of 288.39 g/mol, XLogP of 1.93, 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)-2-fluoro-4-methylbenzenesulfonamide is sourced from PubChem (CID 119989897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).