2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]acetamide

C13H18ClN3O3S — CID 43816576

IUPAC2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(N)=O)CC2)cc1Cl
InChIInChI=1S/C13H18ClN3O3S/c1-10-2-3-11(8-12(10)14)21(19,20)17-6-4-16(5-7-17)9-13(15)18/h2-3,8H,4-7,9H2,1H3,(H2,15,18)
InChIKeyPRIAULIRSOKMFZ-UHFFFAOYSA-N
MW331.82 g/mol
LogP0.44
Rot. Bonds4

About 2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]acetamide

2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 43816576) has the molecular formula C13H18ClN3O3S and a molecular weight of 331.82 g/mol. Its IUPAC name is 2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID43816576
Molecular FormulaC13H18ClN3O3S
Molecular Weight331.82 g/mol
Exact Mass331.08
IUPAC Name2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(N)=O)CC2)cc1Cl
InChIInChI=1S/C13H18ClN3O3S/c1-10-2-3-11(8-12(10)14)21(19,20)17-6-4-16(5-7-17)9-13(15)18/h2-3,8H,4-7,9H2,1H3,(H2,15,18)
InChIKeyPRIAULIRSOKMFZ-UHFFFAOYSA-N
XLogP0.44
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8742873
2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 110659703
2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 110659156
2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 110659793
1-[4-(3-chloro-4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 3831126
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4194583
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 30171977
1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-one
CID 110665618
1-(3-chloro-4-methylphenyl)sulfonyl-4-cyclopropylidenepiperidine
CID 121187216
[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 39696465
1-(2,5-dimethylphenyl)-2-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 110366633
ethyl N-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]carbamate
CID 8758031

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of 2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]acetamide (CID 43816576) is 2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]acetamide is Cc1ccc(S(=O)(=O)N2CCN(CC(N)=O)CC2)cc1Cl.
What is the InChIKey of 2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is PRIAULIRSOKMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3S/c1-10-2-3-11(8-12(10)14)21(19,20)17-6-4-16(5-7-17)9-13(15)18/h2-3,8H,4-7,9H2,1H3,(H2,15,18).
What are the key properties of 2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]acetamide?
2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 331.82 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 43816576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).