1-(methylamino)-N-(2,3,4,5,6-pentafluorophenyl)propane-2-sulfonamide

C10H11F5N2O2S — CID 106074521

IUPAC1-(methylamino)-N-(2,3,4,5,6-pentafluorophenyl)propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H11F5N2O2S/c1-4(3-16-2)20(18,19)17-10-8(14)6(12)5(11)7(13)9(10)15/h4,16-17H,3H2,1-2H3
InChIKeyZBIHGLMXOGXKQT-UHFFFAOYSA-N
MW318.27 g/mol
LogP1.73
Rot. Bonds5

About 1-(methylamino)-N-(2,3,4,5,6-pentafluorophenyl)propane-2-sulfonamide

1-(methylamino)-N-(2,3,4,5,6-pentafluorophenyl)propane-2-sulfonamide (PubChem CID 106074521) has the molecular formula C10H11F5N2O2S and a molecular weight of 318.27 g/mol. Its IUPAC name is 1-(methylamino)-N-(2,3,4,5,6-pentafluorophenyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-(methylamino)-N-(2,3,4,5,6-pentafluorophenyl)propane-2-sulfonamide
PubChem CID106074521
Molecular FormulaC10H11F5N2O2S
Molecular Weight318.27 g/mol
Exact Mass318.05
IUPAC Name1-(methylamino)-N-(2,3,4,5,6-pentafluorophenyl)propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H11F5N2O2S/c1-4(3-16-2)20(18,19)17-10-8(14)6(12)5(11)7(13)9(10)15/h4,16-17H,3H2,1-2H3
InChIKeyZBIHGLMXOGXKQT-UHFFFAOYSA-N
XLogP1.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.27
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(methylamino)-N-(2,3,5,6-tetrafluorophenyl)propane-2-sulfonamide
CID 106087564
1-(methylamino)-N-(2,4,6-trichlorophenyl)propane-2-sulfonamide
CID 114136213
N-(3-fluorophenyl)-1-(methylamino)propane-2-sulfonamide
CID 106060646
N-(3-chloro-5-fluorophenyl)-1-(methylamino)propane-2-sulfonamide
CID 106087915
N-(3-fluoro-2-methylphenyl)-1-(methylamino)propane-2-sulfonamide
CID 106018428
N-(3-fluoro-4-methylphenyl)-1-(methylamino)propane-2-sulfonamide
CID 107447139
N-(2-iodophenyl)-1-(methylamino)propane-2-sulfonamide
CID 106030243
1-(methylamino)-N-thiophen-3-ylpropane-2-sulfonamide
CID 106070014
N-(2,3,4,5,6-pentafluorophenyl)ethanesulfonamide
CID 3375683
1-(methylamino)-N-(1,3-thiazol-2-yl)propane-2-sulfonamide
CID 106031789
N-(4-bromo-2,6-difluorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106066656
N-(2,3-dichlorophenyl)-1-(methylamino)propane-2-sulfonamide
CID 106030674

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-N-(2,3,4,5,6-pentafluorophenyl)propane-2-sulfonamide?
The IUPAC name of 1-(methylamino)-N-(2,3,4,5,6-pentafluorophenyl)propane-2-sulfonamide (CID 106074521) is 1-(methylamino)-N-(2,3,4,5,6-pentafluorophenyl)propane-2-sulfonamide.
What is the SMILES notation for 1-(methylamino)-N-(2,3,4,5,6-pentafluorophenyl)propane-2-sulfonamide?
The canonical SMILES for 1-(methylamino)-N-(2,3,4,5,6-pentafluorophenyl)propane-2-sulfonamide is CNCC(C)S(=O)(=O)Nc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1-(methylamino)-N-(2,3,4,5,6-pentafluorophenyl)propane-2-sulfonamide?
The InChIKey is ZBIHGLMXOGXKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F5N2O2S/c1-4(3-16-2)20(18,19)17-10-8(14)6(12)5(11)7(13)9(10)15/h4,16-17H,3H2,1-2H3.
What are the key properties of 1-(methylamino)-N-(2,3,4,5,6-pentafluorophenyl)propane-2-sulfonamide?
1-(methylamino)-N-(2,3,4,5,6-pentafluorophenyl)propane-2-sulfonamide has a molecular weight of 318.27 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-N-(2,3,4,5,6-pentafluorophenyl)propane-2-sulfonamide is sourced from PubChem (CID 106074521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).