4-[2-(3,4-dichlorophenyl)acetyl]piperazine-1-sulfonamide

C12H15Cl2N3O3S — CID 63046673

IUPAC4-[2-(3,4-dichlorophenyl)acetyl]piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C12H15Cl2N3O3S/c13-10-2-1-9(7-11(10)14)8-12(18)16-3-5-17(6-4-16)21(15,19)20/h1-2,7H,3-6,8H2,(H2,15,19,20)
InChIKeyQZGCEOXIHDYWLF-UHFFFAOYSA-N
MW352.24 g/mol
LogP0.88
Rot. Bonds3

About 4-[2-(3,4-dichlorophenyl)acetyl]piperazine-1-sulfonamide

4-[2-(3,4-dichlorophenyl)acetyl]piperazine-1-sulfonamide (PubChem CID 63046673) has the molecular formula C12H15Cl2N3O3S and a molecular weight of 352.24 g/mol. Its IUPAC name is 4-[2-(3,4-dichlorophenyl)acetyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[2-(3,4-dichlorophenyl)acetyl]piperazine-1-sulfonamide
PubChem CID63046673
Molecular FormulaC12H15Cl2N3O3S
Molecular Weight352.24 g/mol
Exact Mass351.02
IUPAC Name4-[2-(3,4-dichlorophenyl)acetyl]piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C12H15Cl2N3O3S/c13-10-2-1-9(7-11(10)14)8-12(18)16-3-5-17(6-4-16)21(15,19)20/h1-2,7H,3-6,8H2,(H2,15,19,20)
InChIKeyQZGCEOXIHDYWLF-UHFFFAOYSA-N
XLogP0.88
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 112763003
4-[2-(3-chlorophenyl)acetyl]piperazine-1-sulfonamide
CID 62505497
2-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylethanone
CID 10422618
1-(azepan-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 60629303
2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 1485657
1-(4-acetyl-1,4-diazepan-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 134061564
4-[2-(3-hydroxyphenyl)acetyl]piperazine-1-sulfonamide
CID 61399968
1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 52897126
2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119562541
4-[2-(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-sulfonamide;hydrochloride
CID 22707199
4-(2-thiophen-3-ylacetyl)piperazine-1-sulfonamide
CID 61129944
1-[2-(3,4-dichlorophenyl)acetyl]piperidine-4-carbonitrile
CID 49064702

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dichlorophenyl)acetyl]piperazine-1-sulfonamide?
The IUPAC name of 4-[2-(3,4-dichlorophenyl)acetyl]piperazine-1-sulfonamide (CID 63046673) is 4-[2-(3,4-dichlorophenyl)acetyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-[2-(3,4-dichlorophenyl)acetyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-[2-(3,4-dichlorophenyl)acetyl]piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 4-[2-(3,4-dichlorophenyl)acetyl]piperazine-1-sulfonamide?
The InChIKey is QZGCEOXIHDYWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O3S/c13-10-2-1-9(7-11(10)14)8-12(18)16-3-5-17(6-4-16)21(15,19)20/h1-2,7H,3-6,8H2,(H2,15,19,20).
What are the key properties of 4-[2-(3,4-dichlorophenyl)acetyl]piperazine-1-sulfonamide?
4-[2-(3,4-dichlorophenyl)acetyl]piperazine-1-sulfonamide has a molecular weight of 352.24 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dichlorophenyl)acetyl]piperazine-1-sulfonamide is sourced from PubChem (CID 63046673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).