3-fluoro-N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzenesulfonamide

C14H19F4N3O2S — CID 120706378

IUPAC3-fluoro-N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCCN1CCNCC1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C14H19F4N3O2S/c15-13-10-11(2-3-12(13)14(16,17)18)24(22,23)20-4-1-7-21-8-5-19-6-9-21/h2-3,10,19-20H,1,4-9H2
InChIKeyUIQRWGUIRONLLK-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.42
Rot. Bonds6

About 3-fluoro-N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzenesulfonamide

3-fluoro-N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 120706378) has the molecular formula C14H19F4N3O2S and a molecular weight of 369.38 g/mol. Its IUPAC name is 3-fluoro-N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID120706378
Molecular FormulaC14H19F4N3O2S
Molecular Weight369.38 g/mol
Exact Mass369.11
IUPAC Name3-fluoro-N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCCN1CCNCC1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C14H19F4N3O2S/c15-13-10-11(2-3-12(13)14(16,17)18)24(22,23)20-4-1-7-21-8-5-19-6-9-21/h2-3,10,19-20H,1,4-9H2
InChIKeyUIQRWGUIRONLLK-UHFFFAOYSA-N
XLogP1.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.42
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

3-fluoro-N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzenesulfonamide;dihydrochloride
CID 120706377
3-fluoro-4-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43607069
4-chloro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43443247
N-(2-piperazin-1-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 119966218
4-iodo-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43607064
4-fluoro-3,5-dimethyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 119994706
N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;dihydrochloride
CID 119994834
4-(difluoromethoxy)-3-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 120874605
4-bromo-2-fluoro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 116527840
3-fluoro-4-methoxy-5-nitro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
CID 120706451
N-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 119966447
4-nitro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
CID 119994818

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzenesulfonamide (CID 120706378) is 3-fluoro-N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCCCN1CCNCC1)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of 3-fluoro-N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is UIQRWGUIRONLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F4N3O2S/c15-13-10-11(2-3-12(13)14(16,17)18)24(22,23)20-4-1-7-21-8-5-19-6-9-21/h2-3,10,19-20H,1,4-9H2.
What are the key properties of 3-fluoro-N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzenesulfonamide?
3-fluoro-N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 369.38 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 120706378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).