6-(2,4-difluorophenyl)sulfonyl-2,2-dimethylhexan-1-amine

C14H21F2NO2S — CID 106714748

IUPAC6-(2,4-difluorophenyl)sulfonyl-2,2-dimethylhexan-1-amine
SMILESCC(C)(CN)CCCCS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H21F2NO2S/c1-14(2,10-17)7-3-4-8-20(18,19)13-6-5-11(15)9-12(13)16/h5-6,9H,3-4,7-8,10,17H2,1-2H3
InChIKeyHROGYQJJGFCNIN-UHFFFAOYSA-N
MW305.39 g/mol
LogP2.89
Rot. Bonds7

About 6-(2,4-difluorophenyl)sulfonyl-2,2-dimethylhexan-1-amine

6-(2,4-difluorophenyl)sulfonyl-2,2-dimethylhexan-1-amine (PubChem CID 106714748) has the molecular formula C14H21F2NO2S and a molecular weight of 305.39 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)sulfonyl-2,2-dimethylhexan-1-amine.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)sulfonyl-2,2-dimethylhexan-1-amine
PubChem CID106714748
Molecular FormulaC14H21F2NO2S
Molecular Weight305.39 g/mol
Exact Mass305.13
IUPAC Name6-(2,4-difluorophenyl)sulfonyl-2,2-dimethylhexan-1-amine
SMILESCC(C)(CN)CCCCS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H21F2NO2S/c1-14(2,10-17)7-3-4-8-20(18,19)13-6-5-11(15)9-12(13)16/h5-6,9H,3-4,7-8,10,17H2,1-2H3
InChIKeyHROGYQJJGFCNIN-UHFFFAOYSA-N
XLogP2.89
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 52.89
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
4-(2,4-difluorophenyl)sulfonyl-2,2-dimethylbutanenitrile
CID 65262832
N-[2-(2,4-difluorophenyl)sulfonylethyl]-2-methylpropan-2-amine
CID 64646246
6-(2-chlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine
CID 106714731
3-(2,4-difluorophenyl)sulfonyl-N-ethylpropan-1-amine
CID 64645454
6-(2,4-difluorophenyl)sulfonyl-N-methylhexan-2-amine
CID 64644461
4-(2,5-difluorophenyl)sulfonylbutan-1-amine
CID 64697007
1-(2-chloroethylsulfonyl)-2,4-difluorobenzene
CID 43345431
3-(2,4-difluorophenyl)sulfonyl-2-methylpropan-1-amine
CID 64698220
3-fluoro-4-hexylsulfonylaniline
CID 81191687
5-fluoro-2-octylsulfonylaniline
CID 81185523
1-(2,4-difluorophenyl)sulfonylbutan-2-amine
CID 64645054

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)sulfonyl-2,2-dimethylhexan-1-amine?
The IUPAC name of 6-(2,4-difluorophenyl)sulfonyl-2,2-dimethylhexan-1-amine (CID 106714748) is 6-(2,4-difluorophenyl)sulfonyl-2,2-dimethylhexan-1-amine.
What is the SMILES notation for 6-(2,4-difluorophenyl)sulfonyl-2,2-dimethylhexan-1-amine?
The canonical SMILES for 6-(2,4-difluorophenyl)sulfonyl-2,2-dimethylhexan-1-amine is CC(C)(CN)CCCCS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 6-(2,4-difluorophenyl)sulfonyl-2,2-dimethylhexan-1-amine?
The InChIKey is HROGYQJJGFCNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2S/c1-14(2,10-17)7-3-4-8-20(18,19)13-6-5-11(15)9-12(13)16/h5-6,9H,3-4,7-8,10,17H2,1-2H3.
What are the key properties of 6-(2,4-difluorophenyl)sulfonyl-2,2-dimethylhexan-1-amine?
6-(2,4-difluorophenyl)sulfonyl-2,2-dimethylhexan-1-amine has a molecular weight of 305.39 g/mol, XLogP of 2.89, 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-2,2-dimethylhexan-1-amine is sourced from PubChem (CID 106714748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).