4-bromo-2,6-difluoro-N-(1-methylsulfonylpropan-2-yl)aniline

C10H12BrF2NO2S — CID 65467956

IUPAC4-bromo-2,6-difluoro-N-(1-methylsulfonylpropan-2-yl)aniline
SMILESCC(CS(C)(=O)=O)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C10H12BrF2NO2S/c1-6(5-17(2,15)16)14-10-8(12)3-7(11)4-9(10)13/h3-4,6,14H,5H2,1-2H3
InChIKeyYAUNKDYCKYPUDF-UHFFFAOYSA-N
MW328.18 g/mol
LogP2.57
Rot. Bonds4

About 4-bromo-2,6-difluoro-N-(1-methylsulfonylpropan-2-yl)aniline

4-bromo-2,6-difluoro-N-(1-methylsulfonylpropan-2-yl)aniline (PubChem CID 65467956) has the molecular formula C10H12BrF2NO2S and a molecular weight of 328.18 g/mol. Its IUPAC name is 4-bromo-2,6-difluoro-N-(1-methylsulfonylpropan-2-yl)aniline.

Molecular Properties

Compound Name4-bromo-2,6-difluoro-N-(1-methylsulfonylpropan-2-yl)aniline
PubChem CID65467956
Molecular FormulaC10H12BrF2NO2S
Molecular Weight328.18 g/mol
Exact Mass326.97
IUPAC Name4-bromo-2,6-difluoro-N-(1-methylsulfonylpropan-2-yl)aniline
SMILESCC(CS(C)(=O)=O)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C10H12BrF2NO2S/c1-6(5-17(2,15)16)14-10-8(12)3-7(11)4-9(10)13/h3-4,6,14H,5H2,1-2H3
InChIKeyYAUNKDYCKYPUDF-UHFFFAOYSA-N
XLogP2.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.18
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-(1-methylsulfonylpropan-2-yl)-4-nitroaniline
CID 103828624
4-bromo-5-fluoro-1-N-(1-methylsulfonylpropan-2-yl)benzene-1,2-diamine
CID 66109775
4-bromo-2,6-difluoro-N-pentan-3-ylaniline
CID 65469105
3-bromo-N-(1-methylsulfonylpropan-2-yl)-5-(trifluoromethyl)aniline
CID 65490812
4-bromo-2-methyl-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64629495
4-bromo-2,6-difluoro-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534853
1-N-(4-bromo-2,6-difluorophenyl)-1-N'-propan-2-ylethane-1,1-diamine
CID 138669092
2,4-difluoro-5-(1-methylsulfonylpropan-2-ylamino)benzoic acid
CID 64629535
6-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine
CID 115417074
methyl 2-(4-bromo-2,6-difluoroanilino)propanoate
CID 65469192
2-(4-bromo-2,6-difluoroanilino)-N-methylpropanamide
CID 65468033
5-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-2-amine
CID 115750151

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-difluoro-N-(1-methylsulfonylpropan-2-yl)aniline?
The IUPAC name of 4-bromo-2,6-difluoro-N-(1-methylsulfonylpropan-2-yl)aniline (CID 65467956) is 4-bromo-2,6-difluoro-N-(1-methylsulfonylpropan-2-yl)aniline.
What is the SMILES notation for 4-bromo-2,6-difluoro-N-(1-methylsulfonylpropan-2-yl)aniline?
The canonical SMILES for 4-bromo-2,6-difluoro-N-(1-methylsulfonylpropan-2-yl)aniline is CC(CS(C)(=O)=O)Nc1c(F)cc(Br)cc1F.
What is the InChIKey of 4-bromo-2,6-difluoro-N-(1-methylsulfonylpropan-2-yl)aniline?
The InChIKey is YAUNKDYCKYPUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2NO2S/c1-6(5-17(2,15)16)14-10-8(12)3-7(11)4-9(10)13/h3-4,6,14H,5H2,1-2H3.
What are the key properties of 4-bromo-2,6-difluoro-N-(1-methylsulfonylpropan-2-yl)aniline?
4-bromo-2,6-difluoro-N-(1-methylsulfonylpropan-2-yl)aniline has a molecular weight of 328.18 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-difluoro-N-(1-methylsulfonylpropan-2-yl)aniline is sourced from PubChem (CID 65467956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).