4-(4-fluorobenzoyl)piperazine-1-sulfonamide

C11H14FN3O3S — CID 60734135

IUPAC4-(4-fluorobenzoyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C11H14FN3O3S/c12-10-3-1-9(2-4-10)11(16)14-5-7-15(8-6-14)19(13,17)18/h1-4H,5-8H2,(H2,13,17,18)
InChIKeyPHJIRFVRCDFWLX-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.21
Rot. Bonds2

About 4-(4-fluorobenzoyl)piperazine-1-sulfonamide

4-(4-fluorobenzoyl)piperazine-1-sulfonamide (PubChem CID 60734135) has the molecular formula C11H14FN3O3S and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-(4-fluorobenzoyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(4-fluorobenzoyl)piperazine-1-sulfonamide
PubChem CID60734135
Molecular FormulaC11H14FN3O3S
Molecular Weight287.32 g/mol
Exact Mass287.07
IUPAC Name4-(4-fluorobenzoyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C11H14FN3O3S/c12-10-3-1-9(2-4-10)11(16)14-5-7-15(8-6-14)19(13,17)18/h1-4H,5-8H2,(H2,13,17,18)
InChIKeyPHJIRFVRCDFWLX-UHFFFAOYSA-N
XLogP-0.21
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 18169368
(4-ethylsulfonylpiperazin-1-yl)-(4-fluorophenyl)methanone;oxalic acid
CID 171154784
4-(3-bromo-4-fluorobenzoyl)piperazine-1-sulfonamide
CID 103707230
4-(3-bromo-5-fluorobenzoyl)piperazine-1-sulfonamide
CID 61131092
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone
CID 9239681
[4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 119281929
(4-fluorophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone;oxalic acid
CID 171154802
(4-fluorophenyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 26181722
methyl 4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]benzoate
CID 4825564
(4-fluorophenyl)-(4-propylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110798399
4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxylic acid
CID 67493364
4-(4-fluorobenzoyl)piperazine-1-carbaldehyde
CID 2876745

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorobenzoyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(4-fluorobenzoyl)piperazine-1-sulfonamide (CID 60734135) is 4-(4-fluorobenzoyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(4-fluorobenzoyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(4-fluorobenzoyl)piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorobenzoyl)piperazine-1-sulfonamide?
The InChIKey is PHJIRFVRCDFWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3S/c12-10-3-1-9(2-4-10)11(16)14-5-7-15(8-6-14)19(13,17)18/h1-4H,5-8H2,(H2,13,17,18).
What are the key properties of 4-(4-fluorobenzoyl)piperazine-1-sulfonamide?
4-(4-fluorobenzoyl)piperazine-1-sulfonamide has a molecular weight of 287.32 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorobenzoyl)piperazine-1-sulfonamide is sourced from PubChem (CID 60734135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).