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

C12H17N3O4S — CID 61399968

IUPAC4-[2-(3-hydroxyphenyl)acetyl]piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)Cc2cccc(O)c2)CC1
InChIInChI=1S/C12H17N3O4S/c13-20(18,19)15-6-4-14(5-7-15)12(17)9-10-2-1-3-11(16)8-10/h1-3,8,16H,4-7,9H2,(H2,13,18,19)
InChIKeyRLADNTBDUVPVFL-UHFFFAOYSA-N
MW299.35 g/mol
LogP-0.72
Rot. Bonds3

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

4-[2-(3-hydroxyphenyl)acetyl]piperazine-1-sulfonamide (PubChem CID 61399968) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is 4-[2-(3-hydroxyphenyl)acetyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[2-(3-hydroxyphenyl)acetyl]piperazine-1-sulfonamide
PubChem CID61399968
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name4-[2-(3-hydroxyphenyl)acetyl]piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)Cc2cccc(O)c2)CC1
InChIInChI=1S/C12H17N3O4S/c13-20(18,19)15-6-4-14(5-7-15)12(17)9-10-2-1-3-11(16)8-10/h1-3,8,16H,4-7,9H2,(H2,13,18,19)
InChIKeyRLADNTBDUVPVFL-UHFFFAOYSA-N
XLogP-0.72
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(3-chlorophenyl)acetyl]piperazine-1-sulfonamide
CID 62505497
2-(3-hydroxyphenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 61399745
4-[2-(3,4-dichlorophenyl)acetyl]piperazine-1-sulfonamide
CID 63046673
4-(2-thiophen-3-ylacetyl)piperazine-1-sulfonamide
CID 61129944
2-(3-hydroxyphenyl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethanone
CID 146087611
2-(3-hydroxyphenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 62735027
2-(3-aminophenyl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 62499024
N'-hydroxy-2-[4-[2-(3-hydroxyphenyl)acetyl]piperazin-1-yl]ethanimidamide
CID 77011790
1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 59140032
1-(3-azaspiro[5.5]undecan-3-yl)-2-(3-hydroxyphenyl)ethanone
CID 62865664
1-[4-(bromomethyl)piperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 80677823
1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-phenylethanone
CID 108534759

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-hydroxyphenyl)acetyl]piperazine-1-sulfonamide?
The IUPAC name of 4-[2-(3-hydroxyphenyl)acetyl]piperazine-1-sulfonamide (CID 61399968) is 4-[2-(3-hydroxyphenyl)acetyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-[2-(3-hydroxyphenyl)acetyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-[2-(3-hydroxyphenyl)acetyl]piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(C(=O)Cc2cccc(O)c2)CC1.
What is the InChIKey of 4-[2-(3-hydroxyphenyl)acetyl]piperazine-1-sulfonamide?
The InChIKey is RLADNTBDUVPVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c13-20(18,19)15-6-4-14(5-7-15)12(17)9-10-2-1-3-11(16)8-10/h1-3,8,16H,4-7,9H2,(H2,13,18,19).
What are the key properties of 4-[2-(3-hydroxyphenyl)acetyl]piperazine-1-sulfonamide?
4-[2-(3-hydroxyphenyl)acetyl]piperazine-1-sulfonamide has a molecular weight of 299.35 g/mol, XLogP of -0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-hydroxyphenyl)acetyl]piperazine-1-sulfonamide is sourced from PubChem (CID 61399968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).