2-(5-bromo-2-fluorophenyl)sulfonyl-2-methylpropan-1-amine

C10H13BrFNO2S — CID 116855220

IUPAC2-(5-bromo-2-fluorophenyl)sulfonyl-2-methylpropan-1-amine
SMILESCC(C)(CN)S(=O)(=O)c1cc(Br)ccc1F
InChIInChI=1S/C10H13BrFNO2S/c1-10(2,6-13)16(14,15)9-5-7(11)3-4-8(9)12/h3-5H,6,13H2,1-2H3
InChIKeyMEANMFOJTXMNRI-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.10
Rot. Bonds3

About 2-(5-bromo-2-fluorophenyl)sulfonyl-2-methylpropan-1-amine

2-(5-bromo-2-fluorophenyl)sulfonyl-2-methylpropan-1-amine (PubChem CID 116855220) has the molecular formula C10H13BrFNO2S and a molecular weight of 310.19 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)sulfonyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)sulfonyl-2-methylpropan-1-amine
PubChem CID116855220
Molecular FormulaC10H13BrFNO2S
Molecular Weight310.19 g/mol
Exact Mass308.98
IUPAC Name2-(5-bromo-2-fluorophenyl)sulfonyl-2-methylpropan-1-amine
SMILESCC(C)(CN)S(=O)(=O)c1cc(Br)ccc1F
InChIInChI=1S/C10H13BrFNO2S/c1-10(2,6-13)16(14,15)9-5-7(11)3-4-8(9)12/h3-5H,6,13H2,1-2H3
InChIKeyMEANMFOJTXMNRI-UHFFFAOYSA-N
XLogP2.10
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N,N-diethyl-2-fluorobenzenesulfonamide
CID 110760985
N'-[(5-bromo-2-fluorophenyl)methyl]-N',2,2-trimethylbutane-1,4-diamine
CID 115204975
N-(3-amino-2-methylpropyl)-5-bromo-2-fluoro-N-methylbenzenesulfonamide
CID 115272371
3-(5-bromo-2-fluorophenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine
CID 116839684
3-[(5-bromo-2-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071383
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N,2,2-trimethylpropanamide
CID 115154702
N-(1-amino-2-methylpropan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride
CID 119975386
N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527968
N-(1-amino-2-methylpropan-2-yl)-4-bromo-2-fluorobenzamide
CID 63193839
5-bromo-2-fluoro-N-(3-methylbutyl)benzenesulfonamide
CID 52821008
2-[(5-bromo-2-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62725310
4-bromo-2-fluoro-1-(trifluoromethylsulfonyl)benzene
CID 86725083

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)sulfonyl-2-methylpropan-1-amine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)sulfonyl-2-methylpropan-1-amine (CID 116855220) is 2-(5-bromo-2-fluorophenyl)sulfonyl-2-methylpropan-1-amine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)sulfonyl-2-methylpropan-1-amine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)sulfonyl-2-methylpropan-1-amine is CC(C)(CN)S(=O)(=O)c1cc(Br)ccc1F.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)sulfonyl-2-methylpropan-1-amine?
The InChIKey is MEANMFOJTXMNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO2S/c1-10(2,6-13)16(14,15)9-5-7(11)3-4-8(9)12/h3-5H,6,13H2,1-2H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)sulfonyl-2-methylpropan-1-amine?
2-(5-bromo-2-fluorophenyl)sulfonyl-2-methylpropan-1-amine has a molecular weight of 310.19 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)sulfonyl-2-methylpropan-1-amine is sourced from PubChem (CID 116855220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).