2-(3-bromo-4-propan-2-ylsulfonylphenyl)-2-fluoroethanamine

C11H15BrFNO2S — CID 105424737

IUPAC2-(3-bromo-4-propan-2-ylsulfonylphenyl)-2-fluoroethanamine
SMILESCC(C)S(=O)(=O)c1ccc(C(F)CN)cc1Br
InChIInChI=1S/C11H15BrFNO2S/c1-7(2)17(15,16)11-4-3-8(5-9(11)12)10(13)6-14/h3-5,7,10H,6,14H2,1-2H3
InChIKeyYLKZMAGEWDPKMW-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.60
Rot. Bonds4

About 2-(3-bromo-4-propan-2-ylsulfonylphenyl)-2-fluoroethanamine

2-(3-bromo-4-propan-2-ylsulfonylphenyl)-2-fluoroethanamine (PubChem CID 105424737) has the molecular formula C11H15BrFNO2S and a molecular weight of 324.22 g/mol. Its IUPAC name is 2-(3-bromo-4-propan-2-ylsulfonylphenyl)-2-fluoroethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-propan-2-ylsulfonylphenyl)-2-fluoroethanamine
PubChem CID105424737
Molecular FormulaC11H15BrFNO2S
Molecular Weight324.22 g/mol
Exact Mass323.00
IUPAC Name2-(3-bromo-4-propan-2-ylsulfonylphenyl)-2-fluoroethanamine
SMILESCC(C)S(=O)(=O)c1ccc(C(F)CN)cc1Br
InChIInChI=1S/C11H15BrFNO2S/c1-7(2)17(15,16)11-4-3-8(5-9(11)12)10(13)6-14/h3-5,7,10H,6,14H2,1-2H3
InChIKeyYLKZMAGEWDPKMW-UHFFFAOYSA-N
XLogP2.60
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-propan-2-ylsulfonylphenyl)propan-1-amine
CID 105424731
2-(3-bromo-4-methylsulfanylphenyl)-2-fluoroethanamine
CID 105424599
2-(3-bromo-4-ethylsulfonylphenyl)-2-fluoroethanol
CID 105425107
2-(4-propan-2-ylsulfonylphenyl)propan-1-amine
CID 82497202
2-amino-2-(3-bromo-4-methylsulfonylphenyl)ethanol
CID 117474476
2-methyl-1-(4-propan-2-ylsulfonylphenyl)propan-1-amine
CID 82499664
2-bromo-1-(4-chlorobutan-2-ylsulfonyl)-4-(trifluoromethyl)benzene
CID 113325995
N-[(2R)-1-aminopropan-2-yl]-2-bromo-4-methylbenzenesulfonamide
CID 104873294
5-(1-aminopropan-2-yl)-2-bromoaniline
CID 84692433
2-(3-chloro-4-propan-2-ylsulfonylphenyl)-2,2-difluoroethanamine
CID 105424721
4-(1-aminopropan-2-yl)-2-methoxybenzenesulfonamide
CID 141353715
4-[(1R)-2-amino-1-fluoroethyl]aniline
CID 124660461

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-propan-2-ylsulfonylphenyl)-2-fluoroethanamine?
The IUPAC name of 2-(3-bromo-4-propan-2-ylsulfonylphenyl)-2-fluoroethanamine (CID 105424737) is 2-(3-bromo-4-propan-2-ylsulfonylphenyl)-2-fluoroethanamine.
What is the SMILES notation for 2-(3-bromo-4-propan-2-ylsulfonylphenyl)-2-fluoroethanamine?
The canonical SMILES for 2-(3-bromo-4-propan-2-ylsulfonylphenyl)-2-fluoroethanamine is CC(C)S(=O)(=O)c1ccc(C(F)CN)cc1Br.
What is the InChIKey of 2-(3-bromo-4-propan-2-ylsulfonylphenyl)-2-fluoroethanamine?
The InChIKey is YLKZMAGEWDPKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO2S/c1-7(2)17(15,16)11-4-3-8(5-9(11)12)10(13)6-14/h3-5,7,10H,6,14H2,1-2H3.
What are the key properties of 2-(3-bromo-4-propan-2-ylsulfonylphenyl)-2-fluoroethanamine?
2-(3-bromo-4-propan-2-ylsulfonylphenyl)-2-fluoroethanamine has a molecular weight of 324.22 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-propan-2-ylsulfonylphenyl)-2-fluoroethanamine is sourced from PubChem (CID 105424737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).