3-fluoro-4-sulfamoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide

C14H18F4N4O3S — CID 120812787

IUPAC3-fluoro-4-sulfamoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NCC(N2CCNCC2)C(F)(F)F)cc1F
InChIInChI=1S/C14H18F4N4O3S/c15-10-7-9(1-2-11(10)26(19,24)25)13(23)21-8-12(14(16,17)18)22-5-3-20-4-6-22/h1-2,7,12,20H,3-6,8H2,(H,21,23)(H2,19,24,25)
InChIKeyRJIUCXURSLBYSU-UHFFFAOYSA-N
MW398.38 g/mol
LogP0.04
Rot. Bonds5

About 3-fluoro-4-sulfamoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide

3-fluoro-4-sulfamoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide (PubChem CID 120812787) has the molecular formula C14H18F4N4O3S and a molecular weight of 398.38 g/mol. Its IUPAC name is 3-fluoro-4-sulfamoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-sulfamoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
PubChem CID120812787
Molecular FormulaC14H18F4N4O3S
Molecular Weight398.38 g/mol
Exact Mass398.10
IUPAC Name3-fluoro-4-sulfamoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NCC(N2CCNCC2)C(F)(F)F)cc1F
InChIInChI=1S/C14H18F4N4O3S/c15-10-7-9(1-2-11(10)26(19,24)25)13(23)21-8-12(14(16,17)18)22-5-3-20-4-6-22/h1-2,7,12,20H,3-6,8H2,(H,21,23)(H2,19,24,25)
InChIKeyRJIUCXURSLBYSU-UHFFFAOYSA-N
XLogP0.04
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-4-sulfamoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide with MolForge

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Related Compounds

3-fluoro-4-pyrrolidin-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;dihydrochloride
CID 120812266
3-(sulfamoylmethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120811151
4-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811336
3-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide
CID 120810745
4-acetyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120812517
6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide
CID 120812673
4-propanoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120812332
4-(trifluoromethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120811723
4-cyano-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120813148
3-(carbamoylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120813798
4-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120810936
4-nitro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120813479

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-sulfamoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 3-fluoro-4-sulfamoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide (CID 120812787) is 3-fluoro-4-sulfamoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 3-fluoro-4-sulfamoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 3-fluoro-4-sulfamoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide is NS(=O)(=O)c1ccc(C(=O)NCC(N2CCNCC2)C(F)(F)F)cc1F.
What is the InChIKey of 3-fluoro-4-sulfamoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide?
The InChIKey is RJIUCXURSLBYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N4O3S/c15-10-7-9(1-2-11(10)26(19,24)25)13(23)21-8-12(14(16,17)18)22-5-3-20-4-6-22/h1-2,7,12,20H,3-6,8H2,(H,21,23)(H2,19,24,25).
What are the key properties of 3-fluoro-4-sulfamoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide?
3-fluoro-4-sulfamoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide has a molecular weight of 398.38 g/mol, XLogP of 0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-sulfamoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 120812787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).