3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide

C23H27N3O6S — CID 55851242

IUPAC3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)NCC2CCCO2)c1)N1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C23H27N3O6S/c27-21-9-2-1-8-20(21)23(29)26-12-10-25(11-13-26)22(28)17-5-3-7-19(15-17)33(30,31)24-16-18-6-4-14-32-18/h1-3,5,7-9,15,18,24,27H,4,6,10-14,16H2
InChIKeyJUQDBLBHVRVJPB-UHFFFAOYSA-N
MW473.55 g/mol
LogP1.45
Rot. Bonds6

About 3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide

3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 55851242) has the molecular formula C23H27N3O6S and a molecular weight of 473.55 g/mol. Its IUPAC name is 3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID55851242
Molecular FormulaC23H27N3O6S
Molecular Weight473.55 g/mol
Exact Mass473.16
IUPAC Name3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)NCC2CCCO2)c1)N1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C23H27N3O6S/c27-21-9-2-1-8-20(21)23(29)26-12-10-25(11-13-26)22(28)17-5-3-7-19(15-17)33(30,31)24-16-18-6-4-14-32-18/h1-3,5,7-9,15,18,24,27H,4,6,10-14,16H2
InChIKeyJUQDBLBHVRVJPB-UHFFFAOYSA-N
XLogP1.45
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(azepane-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43002594
3-(4-formylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 109063902
3-(4-methylsulfonylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 55822182
3-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 98381430
ethyl 1-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]piperidine-4-carboxylate
CID 43002481
3-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 136519074
3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 55645949
3-[[(2-bromobenzoyl)amino]carbamoyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 46652327
N-[2-(oxan-2-yl)ethyl]-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 72896002
N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42910274
3-(2,5-dimethylmorpholine-4-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 55586374
3-(oxolan-2-ylmethylsulfamoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 55364440

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 55851242) is 3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide is O=C(c1cccc(S(=O)(=O)NCC2CCCO2)c1)N1CCN(C(=O)c2ccccc2O)CC1.
What is the InChIKey of 3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is JUQDBLBHVRVJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O6S/c27-21-9-2-1-8-20(21)23(29)26-12-10-25(11-13-26)22(28)17-5-3-7-19(15-17)33(30,31)24-16-18-6-4-14-32-18/h1-3,5,7-9,15,18,24,27H,4,6,10-14,16H2.
What are the key properties of 3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide?
3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 473.55 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 55851242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).