6-(2,4-difluorophenyl)sulfonyl-N-methylhexan-2-amine

C13H19F2NO2S — CID 64644461

IUPAC6-(2,4-difluorophenyl)sulfonyl-N-methylhexan-2-amine
SMILESCNC(C)CCCCS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H19F2NO2S/c1-10(16-2)5-3-4-8-19(17,18)13-7-6-11(14)9-12(13)15/h6-7,9-10,16H,3-5,8H2,1-2H3
InChIKeyHQQLCLXQNYMRIM-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.52
Rot. Bonds7

About 6-(2,4-difluorophenyl)sulfonyl-N-methylhexan-2-amine

6-(2,4-difluorophenyl)sulfonyl-N-methylhexan-2-amine (PubChem CID 64644461) has the molecular formula C13H19F2NO2S and a molecular weight of 291.36 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)sulfonyl-N-methylhexan-2-amine.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)sulfonyl-N-methylhexan-2-amine
PubChem CID64644461
Molecular FormulaC13H19F2NO2S
Molecular Weight291.36 g/mol
Exact Mass291.11
IUPAC Name6-(2,4-difluorophenyl)sulfonyl-N-methylhexan-2-amine
SMILESCNC(C)CCCCS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H19F2NO2S/c1-10(16-2)5-3-4-8-19(17,18)13-7-6-11(14)9-12(13)15/h6-7,9-10,16H,3-5,8H2,1-2H3
InChIKeyHQQLCLXQNYMRIM-UHFFFAOYSA-N
XLogP2.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromobutylsulfonyl)-2,4-difluorobenzene
CID 43167546
3-(2,4-difluorophenyl)sulfonyl-N-ethylpropan-1-amine
CID 64645454
6-(2,4-difluorophenyl)sulfonyl-2,2-dimethylhexan-1-amine
CID 106714748
N-[2-(2,4-difluorophenyl)sulfonylethyl]-2-methylpropan-2-amine
CID 64646246
5-(2,5-difluorophenyl)sulfonyl-N-propylpentan-2-amine
CID 64673944
N-methyl-6-(4-methylsulfonylphenyl)sulfonylhexan-2-amine
CID 64675701
1-(2,5-difluorophenyl)sulfonyl-N-methylpropan-2-amine
CID 64647520
1-(2-chloroethylsulfonyl)-2,4-difluorobenzene
CID 43345431
1-(2,4-difluorophenyl)sulfonyl-N-propylpropan-2-amine
CID 64644856
5-(2,5-difluorophenyl)-N-methylpentan-2-amine
CID 64502622
4-fluoro-2-(4-methylpentylsulfonyl)aniline
CID 83163308
2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502106

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)sulfonyl-N-methylhexan-2-amine?
The IUPAC name of 6-(2,4-difluorophenyl)sulfonyl-N-methylhexan-2-amine (CID 64644461) is 6-(2,4-difluorophenyl)sulfonyl-N-methylhexan-2-amine.
What is the SMILES notation for 6-(2,4-difluorophenyl)sulfonyl-N-methylhexan-2-amine?
The canonical SMILES for 6-(2,4-difluorophenyl)sulfonyl-N-methylhexan-2-amine is CNC(C)CCCCS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 6-(2,4-difluorophenyl)sulfonyl-N-methylhexan-2-amine?
The InChIKey is HQQLCLXQNYMRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2S/c1-10(16-2)5-3-4-8-19(17,18)13-7-6-11(14)9-12(13)15/h6-7,9-10,16H,3-5,8H2,1-2H3.
What are the key properties of 6-(2,4-difluorophenyl)sulfonyl-N-methylhexan-2-amine?
6-(2,4-difluorophenyl)sulfonyl-N-methylhexan-2-amine has a molecular weight of 291.36 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)sulfonyl-N-methylhexan-2-amine is sourced from PubChem (CID 64644461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).