2,4-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide

C12H15F2N3O3S — CID 60895838

IUPAC2,4-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(F)cc1F)N1CCNCC1
InChIInChI=1S/C12H15F2N3O3S/c13-9-1-2-11(10(14)7-9)21(19,20)16-8-12(18)17-5-3-15-4-6-17/h1-2,7,15-16H,3-6,8H2
InChIKeyMPEQNDJRFGJMPX-UHFFFAOYSA-N
MW319.33 g/mol
LogP-0.33
Rot. Bonds4

About 2,4-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide

2,4-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide (PubChem CID 60895838) has the molecular formula C12H15F2N3O3S and a molecular weight of 319.33 g/mol. Its IUPAC name is 2,4-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
PubChem CID60895838
Molecular FormulaC12H15F2N3O3S
Molecular Weight319.33 g/mol
Exact Mass319.08
IUPAC Name2,4-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(F)cc1F)N1CCNCC1
InChIInChI=1S/C12H15F2N3O3S/c13-9-1-2-11(10(14)7-9)21(19,20)16-8-12(18)17-5-3-15-4-6-17/h1-2,7,15-16H,3-6,8H2
InChIKeyMPEQNDJRFGJMPX-UHFFFAOYSA-N
XLogP-0.33
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 119403723
2,5-dichloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 1006558
3,4-dichloro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 60894571
5-chloro-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide
CID 60894936
N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide
CID 894307
2-[(3,5-difluoro-2-pyridinyl)amino]-1-piperazin-1-ylethanone
CID 112676097
2-(2,5-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119401623
3-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454984
1-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrrole-3-sulfonamide
CID 60894937
2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrazole-3-sulfonamide
CID 104710214
N-cyclohexyl-2-[(2,4-difluorophenyl)sulfonylamino]acetamide
CID 51099663
2,5-difluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide
CID 120778544

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide (CID 60895838) is 2,4-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide is O=C(CNS(=O)(=O)c1ccc(F)cc1F)N1CCNCC1.
What is the InChIKey of 2,4-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide?
The InChIKey is MPEQNDJRFGJMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O3S/c13-9-1-2-11(10(14)7-9)21(19,20)16-8-12(18)17-5-3-15-4-6-17/h1-2,7,15-16H,3-6,8H2.
What are the key properties of 2,4-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide?
2,4-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide has a molecular weight of 319.33 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 60895838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).