3,4-dichloro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide

C12H15Cl2N3O3S — CID 60894571

IUPAC3,4-dichloro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CCNCC1
InChIInChI=1S/C12H15Cl2N3O3S/c13-10-2-1-9(7-11(10)14)21(19,20)16-8-12(18)17-5-3-15-4-6-17/h1-2,7,15-16H,3-6,8H2
InChIKeyXPSGYEOSPAQNKW-UHFFFAOYSA-N
MW352.24 g/mol
LogP0.70
Rot. Bonds4

About 3,4-dichloro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide

3,4-dichloro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide (PubChem CID 60894571) has the molecular formula C12H15Cl2N3O3S and a molecular weight of 352.24 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
PubChem CID60894571
Molecular FormulaC12H15Cl2N3O3S
Molecular Weight352.24 g/mol
Exact Mass351.02
IUPAC Name3,4-dichloro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CCNCC1
InChIInChI=1S/C12H15Cl2N3O3S/c13-10-2-1-9(7-11(10)14)21(19,20)16-8-12(18)17-5-3-15-4-6-17/h1-2,7,15-16H,3-6,8H2
InChIKeyXPSGYEOSPAQNKW-UHFFFAOYSA-N
XLogP0.70
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3,4-dichlorobenzenesulfonamide
CID 112991971
2-chloro-5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]benzoic acid
CID 110712522
4-chloro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 112990867
1-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrrole-3-sulfonamide
CID 60894937
5-chloro-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide
CID 60894936
4-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119402275
2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-sulfonamide
CID 113405985
N-[2-(azepan-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide
CID 112995974
2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrazole-3-sulfonamide
CID 104710214
2,4-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 60895838
N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-4-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119415385
N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide
CID 894307

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide (CID 60894571) is 3,4-dichloro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide is O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CCNCC1.
What is the InChIKey of 3,4-dichloro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide?
The InChIKey is XPSGYEOSPAQNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O3S/c13-10-2-1-9(7-11(10)14)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 3,4-dichloro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide?
3,4-dichloro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide has a molecular weight of 352.24 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 60894571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).