N-(2-chloro-5-methylsulfonylphenyl)-2-piperazin-1-ylacetamide

C13H18ClN3O3S — CID 60710101

IUPACN-(2-chloro-5-methylsulfonylphenyl)-2-piperazin-1-ylacetamide
SMILESCS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCNCC2)c1
InChIInChI=1S/C13H18ClN3O3S/c1-21(19,20)10-2-3-11(14)12(8-10)16-13(18)9-17-6-4-15-5-7-17/h2-3,8,15H,4-7,9H2,1H3,(H,16,18)
InChIKeyMAIKVWNEJSAJFR-UHFFFAOYSA-N
MW331.83 g/mol
LogP0.59
Rot. Bonds4

About N-(2-chloro-5-methylsulfonylphenyl)-2-piperazin-1-ylacetamide

N-(2-chloro-5-methylsulfonylphenyl)-2-piperazin-1-ylacetamide (PubChem CID 60710101) has the molecular formula C13H18ClN3O3S and a molecular weight of 331.83 g/mol. Its IUPAC name is N-(2-chloro-5-methylsulfonylphenyl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylsulfonylphenyl)-2-piperazin-1-ylacetamide
PubChem CID60710101
Molecular FormulaC13H18ClN3O3S
Molecular Weight331.83 g/mol
Exact Mass331.08
IUPAC NameN-(2-chloro-5-methylsulfonylphenyl)-2-piperazin-1-ylacetamide
SMILESCS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCNCC2)c1
InChIInChI=1S/C13H18ClN3O3S/c1-21(19,20)10-2-3-11(14)12(8-10)16-13(18)9-17-6-4-15-5-7-17/h2-3,8,15H,4-7,9H2,1H3,(H,16,18)
InChIKeyMAIKVWNEJSAJFR-UHFFFAOYSA-N
XLogP0.59
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-2-chlorophenyl)-2-piperazin-1-ylacetamide
CID 62908578
N-(2-chloro-5-methylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide
CID 86913214
2-(1,4-diazepan-1-yl)-N-(2,5-dichlorophenyl)acetamide;hydrochloride
CID 119906433
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 4072184
2-(azepan-1-yl)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4818242
3-(2-chloro-5-methylsulfonylanilino)-3-oxopropanoic acid
CID 62232235
2-bromo-N-(2-chloro-5-methylsulfonylphenyl)acetamide
CID 60651950
N-(2-chloro-5-methylsulfonylphenyl)butanamide
CID 60629893
N-(4-chloro-3-methylphenyl)-2-piperazin-1-ylacetamide
CID 45032288
N-(2-chloro-5-methylsulfonylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655779
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 24980260
N-(2-chloro-5-methylsulfonylphenyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 34009525

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-2-piperazin-1-ylacetamide?
The IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-2-piperazin-1-ylacetamide (CID 60710101) is N-(2-chloro-5-methylsulfonylphenyl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(2-chloro-5-methylsulfonylphenyl)-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(2-chloro-5-methylsulfonylphenyl)-2-piperazin-1-ylacetamide is CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCNCC2)c1.
What is the InChIKey of N-(2-chloro-5-methylsulfonylphenyl)-2-piperazin-1-ylacetamide?
The InChIKey is MAIKVWNEJSAJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3S/c1-21(19,20)10-2-3-11(14)12(8-10)16-13(18)9-17-6-4-15-5-7-17/h2-3,8,15H,4-7,9H2,1H3,(H,16,18).
What are the key properties of N-(2-chloro-5-methylsulfonylphenyl)-2-piperazin-1-ylacetamide?
N-(2-chloro-5-methylsulfonylphenyl)-2-piperazin-1-ylacetamide has a molecular weight of 331.83 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylsulfonylphenyl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 60710101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).