N-(1-amino-2-methylpropan-2-yl)-5-bromo-2-fluoro-3-methylsulfonylbenzamide

C12H16BrFN2O3S — CID 119523628

IUPACN-(1-amino-2-methylpropan-2-yl)-5-bromo-2-fluoro-3-methylsulfonylbenzamide
SMILESCC(C)(CN)NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F
InChIInChI=1S/C12H16BrFN2O3S/c1-12(2,6-15)16-11(17)8-4-7(13)5-9(10(8)14)20(3,18)19/h4-5H,6,15H2,1-3H3,(H,16,17)
InChIKeyRUCCQLGUWPIXLW-UHFFFAOYSA-N
MW367.24 g/mol
LogP1.46
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-5-bromo-2-fluoro-3-methylsulfonylbenzamide

N-(1-amino-2-methylpropan-2-yl)-5-bromo-2-fluoro-3-methylsulfonylbenzamide (PubChem CID 119523628) has the molecular formula C12H16BrFN2O3S and a molecular weight of 367.24 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-5-bromo-2-fluoro-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-5-bromo-2-fluoro-3-methylsulfonylbenzamide
PubChem CID119523628
Molecular FormulaC12H16BrFN2O3S
Molecular Weight367.24 g/mol
Exact Mass366.00
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-5-bromo-2-fluoro-3-methylsulfonylbenzamide
SMILESCC(C)(CN)NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F
InChIInChI=1S/C12H16BrFN2O3S/c1-12(2,6-15)16-11(17)8-4-7(13)5-9(10(8)14)20(3,18)19/h4-5H,6,15H2,1-3H3,(H,16,17)
InChIKeyRUCCQLGUWPIXLW-UHFFFAOYSA-N
XLogP1.46
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(1-aminopropan-2-yl)-5-bromo-2-fluoro-N-methyl-3-methylsulfonylbenzamide
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N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride
CID 119521536
5-bromo-2-fluoro-N-(3-methylpiperidin-4-yl)-3-methylsulfonylbenzamide;hydrochloride
CID 120557814
5-bromo-2-fluoro-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide
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N-(1-amino-2-methylpropan-2-yl)-2-methyl-5-methylsulfanylbenzamide
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5-bromo-2-fluoro-1-methyl-3-methylsulfonylbenzene
CID 164895083

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-5-bromo-2-fluoro-3-methylsulfonylbenzamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-5-bromo-2-fluoro-3-methylsulfonylbenzamide (CID 119523628) is N-(1-amino-2-methylpropan-2-yl)-5-bromo-2-fluoro-3-methylsulfonylbenzamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-5-bromo-2-fluoro-3-methylsulfonylbenzamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-5-bromo-2-fluoro-3-methylsulfonylbenzamide is CC(C)(CN)NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-5-bromo-2-fluoro-3-methylsulfonylbenzamide?
The InChIKey is RUCCQLGUWPIXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O3S/c1-12(2,6-15)16-11(17)8-4-7(13)5-9(10(8)14)20(3,18)19/h4-5H,6,15H2,1-3H3,(H,16,17).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-5-bromo-2-fluoro-3-methylsulfonylbenzamide?
N-(1-amino-2-methylpropan-2-yl)-5-bromo-2-fluoro-3-methylsulfonylbenzamide has a molecular weight of 367.24 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-5-bromo-2-fluoro-3-methylsulfonylbenzamide is sourced from PubChem (CID 119523628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).