2,5-difluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide

C13H16F5N3O2S — CID 120778544

IUPAC2,5-difluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCC(N1CCNCC1)C(F)(F)F)c1cc(F)ccc1F
InChIInChI=1S/C13H16F5N3O2S/c14-9-1-2-10(15)11(7-9)24(22,23)20-8-12(13(16,17)18)21-5-3-19-4-6-21/h1-2,7,12,19-20H,3-6,8H2
InChIKeyWSAPYLUPVZGUKE-UHFFFAOYSA-N
MW373.35 g/mol
LogP1.08
Rot. Bonds5

About 2,5-difluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide

2,5-difluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide (PubChem CID 120778544) has the molecular formula C13H16F5N3O2S and a molecular weight of 373.35 g/mol. Its IUPAC name is 2,5-difluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide
PubChem CID120778544
Molecular FormulaC13H16F5N3O2S
Molecular Weight373.35 g/mol
Exact Mass373.09
IUPAC Name2,5-difluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCC(N1CCNCC1)C(F)(F)F)c1cc(F)ccc1F
InChIInChI=1S/C13H16F5N3O2S/c14-9-1-2-10(15)11(7-9)24(22,23)20-8-12(13(16,17)18)21-5-3-19-4-6-21/h1-2,7,12,19-20H,3-6,8H2
InChIKeyWSAPYLUPVZGUKE-UHFFFAOYSA-N
XLogP1.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide;hydrochloride
CID 120778621
2,4,5-trifluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide;hydrochloride
CID 120778859
2,3,4-trifluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide
CID 120778702
2,3-difluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide;hydrochloride
CID 120778813
2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide
CID 120778792
4-fluoro-2,6-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide
CID 120778834
3-cyano-4-fluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide;hydrochloride
CID 120778365
2-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide;hydrochloride
CID 120778781
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide;hydrochloride
CID 120778525
3,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide
CID 120778396
methyl 2-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)sulfamoyl]benzoate;hydrochloride
CID 120778601
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride
CID 120778647

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide (CID 120778544) is 2,5-difluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide is O=S(=O)(NCC(N1CCNCC1)C(F)(F)F)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide?
The InChIKey is WSAPYLUPVZGUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F5N3O2S/c14-9-1-2-10(15)11(7-9)24(22,23)20-8-12(13(16,17)18)21-5-3-19-4-6-21/h1-2,7,12,19-20H,3-6,8H2.
What are the key properties of 2,5-difluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide?
2,5-difluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide has a molecular weight of 373.35 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 120778544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).