2-[4-(4-hydroxybenzoyl)piperazin-1-yl]-N,N-dimethyl-2-oxoethanesulfonamide

C15H21N3O5S — CID 167875364

IUPAC2-[4-(4-hydroxybenzoyl)piperazin-1-yl]-N,N-dimethyl-2-oxoethanesulfonamide
SMILESCN(C)S(=O)(=O)CC(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C15H21N3O5S/c1-16(2)24(22,23)11-14(20)17-7-9-18(10-8-17)15(21)12-3-5-13(19)6-4-12/h3-6,19H,7-11H2,1-2H3
InChIKeyCVYRDTKXUUVJJJ-UHFFFAOYSA-N
MW355.42 g/mol
LogP-0.43
Rot. Bonds4

About 2-[4-(4-hydroxybenzoyl)piperazin-1-yl]-N,N-dimethyl-2-oxoethanesulfonamide

2-[4-(4-hydroxybenzoyl)piperazin-1-yl]-N,N-dimethyl-2-oxoethanesulfonamide (PubChem CID 167875364) has the molecular formula C15H21N3O5S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-[4-(4-hydroxybenzoyl)piperazin-1-yl]-N,N-dimethyl-2-oxoethanesulfonamide.

Molecular Properties

Compound Name2-[4-(4-hydroxybenzoyl)piperazin-1-yl]-N,N-dimethyl-2-oxoethanesulfonamide
PubChem CID167875364
Molecular FormulaC15H21N3O5S
Molecular Weight355.42 g/mol
Exact Mass355.12
IUPAC Name2-[4-(4-hydroxybenzoyl)piperazin-1-yl]-N,N-dimethyl-2-oxoethanesulfonamide
SMILESCN(C)S(=O)(=O)CC(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C15H21N3O5S/c1-16(2)24(22,23)11-14(20)17-7-9-18(10-8-17)15(21)12-3-5-13(19)6-4-12/h3-6,19H,7-11H2,1-2H3
InChIKeyCVYRDTKXUUVJJJ-UHFFFAOYSA-N
XLogP-0.43
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 119730637
(4-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 4740722
2-(4-aminophenyl)-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]ethanone
CID 119730626
N,N-dimethyl-4-(4-oxopiperidine-1-carbonyl)benzenesulfonamide
CID 2556261
2-amino-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 119293260
(4-hexylpiperazin-1-yl)-(4-hydroxyphenyl)methanone
CID 10779884
(4-hydroxyphenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone
CID 112765347
1-(azepan-1-yl)-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]ethanone
CID 35610437
ethyl 4-[4-(dimethylsulfamoyl)benzoyl]piperazine-1-carboxylate
CID 3308115
N,N-dimethyl-4-[4-(methylsulfonylmethyl)benzoyl]piperazine-1-sulfonamide
CID 32501840
N-[4-(4-formylpiperazine-1-carbonyl)phenyl]-N-methylethanesulfonamide
CID 21367512
3-(4-bromo-2-methylphenoxy)-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]propan-1-one
CID 4740063

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hydroxybenzoyl)piperazin-1-yl]-N,N-dimethyl-2-oxoethanesulfonamide?
The IUPAC name of 2-[4-(4-hydroxybenzoyl)piperazin-1-yl]-N,N-dimethyl-2-oxoethanesulfonamide (CID 167875364) is 2-[4-(4-hydroxybenzoyl)piperazin-1-yl]-N,N-dimethyl-2-oxoethanesulfonamide.
What is the SMILES notation for 2-[4-(4-hydroxybenzoyl)piperazin-1-yl]-N,N-dimethyl-2-oxoethanesulfonamide?
The canonical SMILES for 2-[4-(4-hydroxybenzoyl)piperazin-1-yl]-N,N-dimethyl-2-oxoethanesulfonamide is CN(C)S(=O)(=O)CC(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1.
What is the InChIKey of 2-[4-(4-hydroxybenzoyl)piperazin-1-yl]-N,N-dimethyl-2-oxoethanesulfonamide?
The InChIKey is CVYRDTKXUUVJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5S/c1-16(2)24(22,23)11-14(20)17-7-9-18(10-8-17)15(21)12-3-5-13(19)6-4-12/h3-6,19H,7-11H2,1-2H3.
What are the key properties of 2-[4-(4-hydroxybenzoyl)piperazin-1-yl]-N,N-dimethyl-2-oxoethanesulfonamide?
2-[4-(4-hydroxybenzoyl)piperazin-1-yl]-N,N-dimethyl-2-oxoethanesulfonamide has a molecular weight of 355.42 g/mol, XLogP of -0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-hydroxybenzoyl)piperazin-1-yl]-N,N-dimethyl-2-oxoethanesulfonamide is sourced from PubChem (CID 167875364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).