4-(3-chloro-2-fluorobenzoyl)piperazine-1-sulfonamide

C11H13ClFN3O3S — CID 81004842

IUPAC4-(3-chloro-2-fluorobenzoyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)c2cccc(Cl)c2F)CC1
InChIInChI=1S/C11H13ClFN3O3S/c12-9-3-1-2-8(10(9)13)11(17)15-4-6-16(7-5-15)20(14,18)19/h1-3H,4-7H2,(H2,14,18,19)
InChIKeyJEKZXTANTJSGSS-UHFFFAOYSA-N
MW321.76 g/mol
LogP0.44
Rot. Bonds2

About 4-(3-chloro-2-fluorobenzoyl)piperazine-1-sulfonamide

4-(3-chloro-2-fluorobenzoyl)piperazine-1-sulfonamide (PubChem CID 81004842) has the molecular formula C11H13ClFN3O3S and a molecular weight of 321.76 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorobenzoyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(3-chloro-2-fluorobenzoyl)piperazine-1-sulfonamide
PubChem CID81004842
Molecular FormulaC11H13ClFN3O3S
Molecular Weight321.76 g/mol
Exact Mass321.04
IUPAC Name4-(3-chloro-2-fluorobenzoyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)c2cccc(Cl)c2F)CC1
InChIInChI=1S/C11H13ClFN3O3S/c12-9-3-1-2-8(10(9)13)11(17)15-4-6-16(7-5-15)20(14,18)19/h1-3H,4-7H2,(H2,14,18,19)
InChIKeyJEKZXTANTJSGSS-UHFFFAOYSA-N
XLogP0.44
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-(3-chloro-2-fluorophenyl)methanone
CID 80949460
[4-(3-chloro-2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 78873668
4-(2-iodobenzoyl)piperazine-1-sulfonamide
CID 61068450
2-[4-(3-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-methylpropanenitrile
CID 81265400
(2,3-dichlorophenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 47070210
(5-chloro-2-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 27757766
(3-chloro-2-fluorophenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406728
[3-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-2-fluorophenyl)methanone
CID 81264813
[(3aS,4R,6aS)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(3-chloro-2-fluorophenyl)methanone
CID 99823408
4-(2-bromo-6-fluorobenzoyl)piperazine-1-sulfonamide
CID 115678904
[4-(2-chloroethoxy)piperidin-1-yl]-(3-chloro-2-fluorophenyl)methanone
CID 82701310
(4-amino-3-methylpiperidin-1-yl)-(3-chloro-2-fluorophenyl)methanone
CID 81266324

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorobenzoyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(3-chloro-2-fluorobenzoyl)piperazine-1-sulfonamide (CID 81004842) is 4-(3-chloro-2-fluorobenzoyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(3-chloro-2-fluorobenzoyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(3-chloro-2-fluorobenzoyl)piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(C(=O)c2cccc(Cl)c2F)CC1.
What is the InChIKey of 4-(3-chloro-2-fluorobenzoyl)piperazine-1-sulfonamide?
The InChIKey is JEKZXTANTJSGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN3O3S/c12-9-3-1-2-8(10(9)13)11(17)15-4-6-16(7-5-15)20(14,18)19/h1-3H,4-7H2,(H2,14,18,19).
What are the key properties of 4-(3-chloro-2-fluorobenzoyl)piperazine-1-sulfonamide?
4-(3-chloro-2-fluorobenzoyl)piperazine-1-sulfonamide has a molecular weight of 321.76 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluorobenzoyl)piperazine-1-sulfonamide is sourced from PubChem (CID 81004842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).