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

C12H16ClN3O3S — CID 62505497

IUPAC4-[2-(3-chlorophenyl)acetyl]piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C12H16ClN3O3S/c13-11-3-1-2-10(8-11)9-12(17)15-4-6-16(7-5-15)20(14,18)19/h1-3,8H,4-7,9H2,(H2,14,18,19)
InChIKeyJHWIFYKNSVMJOH-UHFFFAOYSA-N
MW317.80 g/mol
LogP0.23
Rot. Bonds3

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

4-[2-(3-chlorophenyl)acetyl]piperazine-1-sulfonamide (PubChem CID 62505497) has the molecular formula C12H16ClN3O3S and a molecular weight of 317.80 g/mol. Its IUPAC name is 4-[2-(3-chlorophenyl)acetyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[2-(3-chlorophenyl)acetyl]piperazine-1-sulfonamide
PubChem CID62505497
Molecular FormulaC12H16ClN3O3S
Molecular Weight317.80 g/mol
Exact Mass317.06
IUPAC Name4-[2-(3-chlorophenyl)acetyl]piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C12H16ClN3O3S/c13-11-3-1-2-10(8-11)9-12(17)15-4-6-16(7-5-15)20(14,18)19/h1-3,8H,4-7,9H2,(H2,14,18,19)
InChIKeyJHWIFYKNSVMJOH-UHFFFAOYSA-N
XLogP0.23
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-hydroxyphenyl)acetyl]piperazine-1-sulfonamide
CID 61399968
4-[2-(3,4-dichlorophenyl)acetyl]piperazine-1-sulfonamide
CID 63046673
1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide
CID 95211420
2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77011840
2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]propanamide
CID 110750504
2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]acetonitrile
CID 63336887
2-(3-chlorophenyl)-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 115304338
1-(4-benzoyl-1,4-diazepan-1-yl)-2-(3-chlorophenyl)ethanone
CID 110798191
[(3S)-1-[2-(3-chlorophenyl)acetyl]piperidin-3-yl]methanesulfonamide
CID 96515234
2-(3-aminophenyl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 62499024
1-(3-aminopyrrolidin-1-yl)-2-(3-chlorophenyl)ethanone
CID 62504630
2-(3-chlorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
CID 95759114

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorophenyl)acetyl]piperazine-1-sulfonamide?
The IUPAC name of 4-[2-(3-chlorophenyl)acetyl]piperazine-1-sulfonamide (CID 62505497) is 4-[2-(3-chlorophenyl)acetyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-[2-(3-chlorophenyl)acetyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-[2-(3-chlorophenyl)acetyl]piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 4-[2-(3-chlorophenyl)acetyl]piperazine-1-sulfonamide?
The InChIKey is JHWIFYKNSVMJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3S/c13-11-3-1-2-10(8-11)9-12(17)15-4-6-16(7-5-15)20(14,18)19/h1-3,8H,4-7,9H2,(H2,14,18,19).
What are the key properties of 4-[2-(3-chlorophenyl)acetyl]piperazine-1-sulfonamide?
4-[2-(3-chlorophenyl)acetyl]piperazine-1-sulfonamide has a molecular weight of 317.80 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorophenyl)acetyl]piperazine-1-sulfonamide is sourced from PubChem (CID 62505497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).