1-(2,4-difluorophenyl)sulfonyl-3-(propylamino)propan-2-ol

C12H17F2NO3S — CID 115476595

IUPAC1-(2,4-difluorophenyl)sulfonyl-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)CS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO3S/c1-2-5-15-7-10(16)8-19(17,18)12-4-3-9(13)6-11(12)14/h3-4,6,10,15-16H,2,5,7-8H2,1H3
InChIKeyRJPGFJXTOZUODJ-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.10
Rot. Bonds7

About 1-(2,4-difluorophenyl)sulfonyl-3-(propylamino)propan-2-ol

1-(2,4-difluorophenyl)sulfonyl-3-(propylamino)propan-2-ol (PubChem CID 115476595) has the molecular formula C12H17F2NO3S and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)sulfonyl-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)sulfonyl-3-(propylamino)propan-2-ol
PubChem CID115476595
Molecular FormulaC12H17F2NO3S
Molecular Weight293.33 g/mol
Exact Mass293.09
IUPAC Name1-(2,4-difluorophenyl)sulfonyl-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)CS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO3S/c1-2-5-15-7-10(16)8-19(17,18)12-4-3-9(13)6-11(12)14/h3-4,6,10,15-16H,2,5,7-8H2,1H3
InChIKeyRJPGFJXTOZUODJ-UHFFFAOYSA-N
XLogP1.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-difluorophenyl)sulfonyl-N-propylpropan-2-amine
CID 64644856
1-(ethylamino)-3-(2-fluorophenyl)sulfonylpropan-2-ol
CID 113317924
1-(2,4-difluorophenyl)sulfonylbutan-2-amine
CID 64645054
2,4-difluoro-N-(2-hydroxybutyl)benzenesulfonamide
CID 5018850
1-(3,4-dichlorophenyl)sulfonyl-3-(propylamino)propan-2-ol
CID 115476449
3-(2,4-difluorophenyl)sulfonyl-N-ethylpropan-1-amine
CID 64645454
3-(2,4-difluorophenyl)sulfonyl-2-methylpropan-1-amine
CID 64698220
N-[2-(2,4-difluorophenyl)sulfonylethyl]-2-methylpropan-2-amine
CID 64646246
1-(2,4-difluorophenyl)-2-(2-ethylsulfonylethylamino)ethanol
CID 103710489
1-(4-fluorophenyl)sulfinyl-3-(propylamino)propan-2-ol
CID 113318017
1-(2,5-dichlorophenyl)sulfonyl-3-(2-methoxyethylamino)propan-2-ol
CID 115476512
N-(2-ethylbutyl)-2,4-difluorobenzenesulfonamide
CID 84547716

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-3-(propylamino)propan-2-ol?
The IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-3-(propylamino)propan-2-ol (CID 115476595) is 1-(2,4-difluorophenyl)sulfonyl-3-(propylamino)propan-2-ol.
What is the SMILES notation for 1-(2,4-difluorophenyl)sulfonyl-3-(propylamino)propan-2-ol?
The canonical SMILES for 1-(2,4-difluorophenyl)sulfonyl-3-(propylamino)propan-2-ol is CCCNCC(O)CS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)sulfonyl-3-(propylamino)propan-2-ol?
The InChIKey is RJPGFJXTOZUODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO3S/c1-2-5-15-7-10(16)8-19(17,18)12-4-3-9(13)6-11(12)14/h3-4,6,10,15-16H,2,5,7-8H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)sulfonyl-3-(propylamino)propan-2-ol?
1-(2,4-difluorophenyl)sulfonyl-3-(propylamino)propan-2-ol has a molecular weight of 293.33 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)sulfonyl-3-(propylamino)propan-2-ol is sourced from PubChem (CID 115476595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).