4-acetyl-N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide

C22H25N3O6S — CID 55850851

IUPAC4-acetyl-N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCN(C(=O)c3ccccc3O)CC2)cc1
InChIInChI=1S/C22H25N3O6S/c1-16(26)17-6-8-18(9-7-17)32(30,31)23-11-10-21(28)24-12-14-25(15-13-24)22(29)19-4-2-3-5-20(19)27/h2-9,23,27H,10-15H2,1H3
InChIKeyXOHBOIJWEIIKLQ-UHFFFAOYSA-N
MW459.52 g/mol
LogP1.25
Rot. Bonds7

About 4-acetyl-N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide

4-acetyl-N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide (PubChem CID 55850851) has the molecular formula C22H25N3O6S and a molecular weight of 459.52 g/mol. Its IUPAC name is 4-acetyl-N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
PubChem CID55850851
Molecular FormulaC22H25N3O6S
Molecular Weight459.52 g/mol
Exact Mass459.15
IUPAC Name4-acetyl-N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCN(C(=O)c3ccccc3O)CC2)cc1
InChIInChI=1S/C22H25N3O6S/c1-16(26)17-6-8-18(9-7-17)32(30,31)23-11-10-21(28)24-12-14-25(15-13-24)22(29)19-4-2-3-5-20(19)27/h2-9,23,27H,10-15H2,1H3
InChIKeyXOHBOIJWEIIKLQ-UHFFFAOYSA-N
XLogP1.25
TPSA124.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-difluoro-N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 55851497
N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 55850858
4-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 31688731
4-acetyl-N-[3-(4-methoxypiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 55480449
3-acetyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 78774480
N-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-3-bromobenzenesulfonamide
CID 31541405
3,4-difluoro-N-[3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 38357337
4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 17154059
4-acetyl-N-[3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 55330245
3-[(4-acetylphenyl)sulfonylamino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 55722130
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 2537450
1-[4-(2-hydroxybenzoyl)piperazin-1-yl]pentan-1-one
CID 108534806

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide (CID 55850851) is 4-acetyl-N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCN(C(=O)c3ccccc3O)CC2)cc1.
What is the InChIKey of 4-acetyl-N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide?
The InChIKey is XOHBOIJWEIIKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6S/c1-16(26)17-6-8-18(9-7-17)32(30,31)23-11-10-21(28)24-12-14-25(15-13-24)22(29)19-4-2-3-5-20(19)27/h2-9,23,27H,10-15H2,1H3.
What are the key properties of 4-acetyl-N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide?
4-acetyl-N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide has a molecular weight of 459.52 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 55850851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).