N-(1-amino-2-methylpropan-2-yl)-N-ethyl-4-fluoro-2,6-dimethylbenzenesulfonamide

C14H23FN2O2S — CID 107325986

IUPACN-(1-amino-2-methylpropan-2-yl)-N-ethyl-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCCN(C(C)(C)CN)S(=O)(=O)c1c(C)cc(F)cc1C
InChIInChI=1S/C14H23FN2O2S/c1-6-17(14(4,5)9-16)20(18,19)13-10(2)7-12(15)8-11(13)3/h7-8H,6,9,16H2,1-5H3
InChIKeyBSSNNGPJNKUSGG-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.19
Rot. Bonds5

About N-(1-amino-2-methylpropan-2-yl)-N-ethyl-4-fluoro-2,6-dimethylbenzenesulfonamide

N-(1-amino-2-methylpropan-2-yl)-N-ethyl-4-fluoro-2,6-dimethylbenzenesulfonamide (PubChem CID 107325986) has the molecular formula C14H23FN2O2S and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-N-ethyl-4-fluoro-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-N-ethyl-4-fluoro-2,6-dimethylbenzenesulfonamide
PubChem CID107325986
Molecular FormulaC14H23FN2O2S
Molecular Weight302.42 g/mol
Exact Mass302.15
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-N-ethyl-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCCN(C(C)(C)CN)S(=O)(=O)c1c(C)cc(F)cc1C
InChIInChI=1S/C14H23FN2O2S/c1-6-17(14(4,5)9-16)20(18,19)13-10(2)7-12(15)8-11(13)3/h7-8H,6,9,16H2,1-5H3
InChIKeyBSSNNGPJNKUSGG-UHFFFAOYSA-N
XLogP2.19
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-N-ethyl-5-fluoropyridine-3-sulfonamide
CID 62009438
N-(1-amino-2-methylpropan-2-yl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide
CID 62009033
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107493796
N-(1-amino-2-methylpropan-2-yl)-N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 62008042
N-ethyl-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 107327365
N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-2,4-difluorobenzenesulfonamide
CID 62009856
3-[ethyl-(4-fluoro-2,6-dimethylphenyl)sulfonylamino]propanimidamide
CID 107329497
N-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107329467
4-fluoro-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106328497
N-(1-amino-2-methylbutan-2-yl)-4-fluoro-N,2-dimethylbenzenesulfonamide
CID 62008245
N-(2,2-difluoroethyl)-4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107479241
N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide;hydrochloride
CID 120710372

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-N-ethyl-4-fluoro-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-N-ethyl-4-fluoro-2,6-dimethylbenzenesulfonamide (CID 107325986) is N-(1-amino-2-methylpropan-2-yl)-N-ethyl-4-fluoro-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-N-ethyl-4-fluoro-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-N-ethyl-4-fluoro-2,6-dimethylbenzenesulfonamide is CCN(C(C)(C)CN)S(=O)(=O)c1c(C)cc(F)cc1C.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-N-ethyl-4-fluoro-2,6-dimethylbenzenesulfonamide?
The InChIKey is BSSNNGPJNKUSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2S/c1-6-17(14(4,5)9-16)20(18,19)13-10(2)7-12(15)8-11(13)3/h7-8H,6,9,16H2,1-5H3.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-N-ethyl-4-fluoro-2,6-dimethylbenzenesulfonamide?
N-(1-amino-2-methylpropan-2-yl)-N-ethyl-4-fluoro-2,6-dimethylbenzenesulfonamide has a molecular weight of 302.42 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-N-ethyl-4-fluoro-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107325986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).