5-bromo-2-fluoro-N-(1-methylsulfonylpropan-2-yl)aniline

C10H13BrFNO2S — CID 64630938

IUPAC5-bromo-2-fluoro-N-(1-methylsulfonylpropan-2-yl)aniline
SMILESCC(CS(C)(=O)=O)Nc1cc(Br)ccc1F
InChIInChI=1S/C10H13BrFNO2S/c1-7(6-16(2,14)15)13-10-5-8(11)3-4-9(10)12/h3-5,7,13H,6H2,1-2H3
InChIKeyWIJWHYYRIFCNGZ-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.43
Rot. Bonds4

About 5-bromo-2-fluoro-N-(1-methylsulfonylpropan-2-yl)aniline

5-bromo-2-fluoro-N-(1-methylsulfonylpropan-2-yl)aniline (PubChem CID 64630938) has the molecular formula C10H13BrFNO2S and a molecular weight of 310.19 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(1-methylsulfonylpropan-2-yl)aniline.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(1-methylsulfonylpropan-2-yl)aniline
PubChem CID64630938
Molecular FormulaC10H13BrFNO2S
Molecular Weight310.19 g/mol
Exact Mass308.98
IUPAC Name5-bromo-2-fluoro-N-(1-methylsulfonylpropan-2-yl)aniline
SMILESCC(CS(C)(=O)=O)Nc1cc(Br)ccc1F
InChIInChI=1S/C10H13BrFNO2S/c1-7(6-16(2,14)15)13-10-5-8(11)3-4-9(10)12/h3-5,7,13H,6H2,1-2H3
InChIKeyWIJWHYYRIFCNGZ-UHFFFAOYSA-N
XLogP2.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(1-methylsulfonylpropan-2-yl)aniline?
The IUPAC name of 5-bromo-2-fluoro-N-(1-methylsulfonylpropan-2-yl)aniline (CID 64630938) is 5-bromo-2-fluoro-N-(1-methylsulfonylpropan-2-yl)aniline.
What is the SMILES notation for 5-bromo-2-fluoro-N-(1-methylsulfonylpropan-2-yl)aniline?
The canonical SMILES for 5-bromo-2-fluoro-N-(1-methylsulfonylpropan-2-yl)aniline is CC(CS(C)(=O)=O)Nc1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-(1-methylsulfonylpropan-2-yl)aniline?
The InChIKey is WIJWHYYRIFCNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO2S/c1-7(6-16(2,14)15)13-10-5-8(11)3-4-9(10)12/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 5-bromo-2-fluoro-N-(1-methylsulfonylpropan-2-yl)aniline?
5-bromo-2-fluoro-N-(1-methylsulfonylpropan-2-yl)aniline has a molecular weight of 310.19 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-(1-methylsulfonylpropan-2-yl)aniline is sourced from PubChem (CID 64630938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).