1-(2,4-difluorophenyl)sulfonyl-N-propylpropan-2-amine

C12H17F2NO2S — CID 64644856

IUPAC1-(2,4-difluorophenyl)sulfonyl-N-propylpropan-2-amine
SMILESCCCNC(C)CS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO2S/c1-3-6-15-9(2)8-18(16,17)12-5-4-10(13)7-11(12)14/h4-5,7,9,15H,3,6,8H2,1-2H3
InChIKeyVUXZMSIAEDUNRR-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.13
Rot. Bonds6

About 1-(2,4-difluorophenyl)sulfonyl-N-propylpropan-2-amine

1-(2,4-difluorophenyl)sulfonyl-N-propylpropan-2-amine (PubChem CID 64644856) has the molecular formula C12H17F2NO2S and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)sulfonyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)sulfonyl-N-propylpropan-2-amine
PubChem CID64644856
Molecular FormulaC12H17F2NO2S
Molecular Weight277.34 g/mol
Exact Mass277.09
IUPAC Name1-(2,4-difluorophenyl)sulfonyl-N-propylpropan-2-amine
SMILESCCCNC(C)CS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO2S/c1-3-6-15-9(2)8-18(16,17)12-5-4-10(13)7-11(12)14/h4-5,7,9,15H,3,6,8H2,1-2H3
InChIKeyVUXZMSIAEDUNRR-UHFFFAOYSA-N
XLogP2.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)sulfonyl-3-(propylamino)propan-2-ol
CID 115476595
1-(2,4-difluorophenyl)sulfonylbutan-2-amine
CID 64645054
5-(2,5-difluorophenyl)sulfonyl-N-propylpentan-2-amine
CID 64673944
3-(2,4-difluorophenyl)sulfonyl-2-methylpropan-1-amine
CID 64698220
2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502106
1-(2,5-difluorophenyl)sulfonyl-N-methylpropan-2-amine
CID 64647520
N-[(2R)-2-(ethylamino)propyl]-2,4-difluorobenzenesulfonamide
CID 120664782
N-[2-(2,4-difluorophenyl)sulfonylethyl]-2-methylpropan-2-amine
CID 64646246
1-(4-methylsulfonylphenyl)sulfonyl-N-propylpropan-2-amine
CID 64675887
3-(2,4-difluorophenyl)sulfonyl-N-ethylpropan-1-amine
CID 64645454
6-(2,4-difluorophenyl)sulfonyl-N-methylhexan-2-amine
CID 64644461
4-(2,4-difluorophenyl)sulfanyl-N-propylpentan-2-amine
CID 64702656

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-N-propylpropan-2-amine?
The IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-N-propylpropan-2-amine (CID 64644856) is 1-(2,4-difluorophenyl)sulfonyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)sulfonyl-N-propylpropan-2-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)sulfonyl-N-propylpropan-2-amine is CCCNC(C)CS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)sulfonyl-N-propylpropan-2-amine?
The InChIKey is VUXZMSIAEDUNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2S/c1-3-6-15-9(2)8-18(16,17)12-5-4-10(13)7-11(12)14/h4-5,7,9,15H,3,6,8H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)sulfonyl-N-propylpropan-2-amine?
1-(2,4-difluorophenyl)sulfonyl-N-propylpropan-2-amine has a molecular weight of 277.34 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)sulfonyl-N-propylpropan-2-amine is sourced from PubChem (CID 64644856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).