1-(2,4-difluorophenyl)propane-2-sulfonamide

C9H11F2NO2S — CID 172765105

IUPAC1-(2,4-difluorophenyl)propane-2-sulfonamide
SMILESCC(Cc1ccc(F)cc1F)S(N)(=O)=O
InChIInChI=1S/C9H11F2NO2S/c1-6(15(12,13)14)4-7-2-3-8(10)5-9(7)11/h2-3,5-6H,4H2,1H3,(H2,12,13,14)
InChIKeyMEZJWYQQMPTWGO-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.18
Rot. Bonds3

About 1-(2,4-difluorophenyl)propane-2-sulfonamide

1-(2,4-difluorophenyl)propane-2-sulfonamide (PubChem CID 172765105) has the molecular formula C9H11F2NO2S and a molecular weight of 235.25 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)propane-2-sulfonamide
PubChem CID172765105
Molecular FormulaC9H11F2NO2S
Molecular Weight235.25 g/mol
Exact Mass235.05
IUPAC Name1-(2,4-difluorophenyl)propane-2-sulfonamide
SMILESCC(Cc1ccc(F)cc1F)S(N)(=O)=O
InChIInChI=1S/C9H11F2NO2S/c1-6(15(12,13)14)4-7-2-3-8(10)5-9(7)11/h2-3,5-6H,4H2,1H3,(H2,12,13,14)
InChIKeyMEZJWYQQMPTWGO-UHFFFAOYSA-N
XLogP1.18
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
CID 155973682
1,3-bis(2,4-difluorophenyl)propan-2-amine
CID 64561196
1-(2,4-difluorophenyl)-5-methylsulfonylpentan-2-amine
CID 64558701
1-(2,4-difluorophenyl)-3,3-dimethylbutan-2-amine
CID 62195909
2-(2-aminopropyl)-5-fluorophenol
CID 83695312
1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanamine
CID 64560038
2-(2,4-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 64559658
1-(2,4-difluorophenyl)-N-ethyl-3-methylsulfonylbutan-2-amine
CID 104519997
1-(2,4-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135064
1-(2,4-difluorophenyl)butan-2-ol
CID 23056492
2-bromo-3-(2,4-difluorophenyl)propanamide
CID 104512951
1-(2,4-difluorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103311785

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)propane-2-sulfonamide?
The IUPAC name of 1-(2,4-difluorophenyl)propane-2-sulfonamide (CID 172765105) is 1-(2,4-difluorophenyl)propane-2-sulfonamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)propane-2-sulfonamide?
The canonical SMILES for 1-(2,4-difluorophenyl)propane-2-sulfonamide is CC(Cc1ccc(F)cc1F)S(N)(=O)=O.
What is the InChIKey of 1-(2,4-difluorophenyl)propane-2-sulfonamide?
The InChIKey is MEZJWYQQMPTWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2S/c1-6(15(12,13)14)4-7-2-3-8(10)5-9(7)11/h2-3,5-6H,4H2,1H3,(H2,12,13,14).
What are the key properties of 1-(2,4-difluorophenyl)propane-2-sulfonamide?
1-(2,4-difluorophenyl)propane-2-sulfonamide has a molecular weight of 235.25 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)propane-2-sulfonamide is sourced from PubChem (CID 172765105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).