2,4,6-trifluoro-N-(3-sulfamoylpropyl)benzamide

C10H11F3N2O3S — CID 65100894

IUPAC2,4,6-trifluoro-N-(3-sulfamoylpropyl)benzamide
SMILESNS(=O)(=O)CCCNC(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C10H11F3N2O3S/c11-6-4-7(12)9(8(13)5-6)10(16)15-2-1-3-19(14,17)18/h4-5H,1-3H2,(H,15,16)(H2,14,17,18)
InChIKeyQXRQNYPOMCOKAT-UHFFFAOYSA-N
MW296.27 g/mol
LogP0.51
Rot. Bonds5

About 2,4,6-trifluoro-N-(3-sulfamoylpropyl)benzamide

2,4,6-trifluoro-N-(3-sulfamoylpropyl)benzamide (PubChem CID 65100894) has the molecular formula C10H11F3N2O3S and a molecular weight of 296.27 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-(3-sulfamoylpropyl)benzamide.

Molecular Properties

Compound Name2,4,6-trifluoro-N-(3-sulfamoylpropyl)benzamide
PubChem CID65100894
Molecular FormulaC10H11F3N2O3S
Molecular Weight296.27 g/mol
Exact Mass296.04
IUPAC Name2,4,6-trifluoro-N-(3-sulfamoylpropyl)benzamide
SMILESNS(=O)(=O)CCCNC(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C10H11F3N2O3S/c11-6-4-7(12)9(8(13)5-6)10(16)15-2-1-3-19(14,17)18/h4-5H,1-3H2,(H,15,16)(H2,14,17,18)
InChIKeyQXRQNYPOMCOKAT-UHFFFAOYSA-N
XLogP0.51
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-bromohexyl)-2,4,6-trifluorobenzamide
CID 107847891
2,4,6-trifluoro-N-(5-iodopentyl)benzamide
CID 107322261
4-chloro-2-fluoro-N-(3-sulfamoylpropyl)benzamide
CID 47337136
2-amino-4-fluoro-N-(3-sulfamoylpropyl)benzamide
CID 63110426
2,4,6-trifluoro-N-propylbenzamide
CID 65100176
3-fluoro-5-nitro-N-(3-sulfamoylpropyl)benzamide
CID 78953205
ethyl 4-[(2,4,6-trifluorobenzoyl)amino]butanoate
CID 65100634
N-(3-sulfamoylpropyl)pyridine-4-carboxamide
CID 47337075
2,4,6-trifluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103861933
N-(3-aminobutyl)-2,4,6-trifluorobenzamide;hydrochloride
CID 119497329
2,2-difluoro-N-(3-sulfamoylpropyl)acetamide
CID 103514706
3-[(3,5-difluorophenyl)methylamino]propane-1-sulfonamide
CID 106528429

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-(3-sulfamoylpropyl)benzamide?
The IUPAC name of 2,4,6-trifluoro-N-(3-sulfamoylpropyl)benzamide (CID 65100894) is 2,4,6-trifluoro-N-(3-sulfamoylpropyl)benzamide.
What is the SMILES notation for 2,4,6-trifluoro-N-(3-sulfamoylpropyl)benzamide?
The canonical SMILES for 2,4,6-trifluoro-N-(3-sulfamoylpropyl)benzamide is NS(=O)(=O)CCCNC(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of 2,4,6-trifluoro-N-(3-sulfamoylpropyl)benzamide?
The InChIKey is QXRQNYPOMCOKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3S/c11-6-4-7(12)9(8(13)5-6)10(16)15-2-1-3-19(14,17)18/h4-5H,1-3H2,(H,15,16)(H2,14,17,18).
What are the key properties of 2,4,6-trifluoro-N-(3-sulfamoylpropyl)benzamide?
2,4,6-trifluoro-N-(3-sulfamoylpropyl)benzamide has a molecular weight of 296.27 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-(3-sulfamoylpropyl)benzamide is sourced from PubChem (CID 65100894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).