3-(4-methylsulfonylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide

C17H25N3O6S2 — CID 55822182

IUPAC3-(4-methylsulfonylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCS(=O)(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)CC1
InChIInChI=1S/C17H25N3O6S2/c1-27(22,23)20-9-7-19(8-10-20)17(21)14-4-2-6-16(12-14)28(24,25)18-13-15-5-3-11-26-15/h2,4,6,12,15,18H,3,5,7-11,13H2,1H3
InChIKeyIJDZVUPFUMOYEV-UHFFFAOYSA-N
MW431.54 g/mol
LogP-0.14
Rot. Bonds6

About 3-(4-methylsulfonylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide

3-(4-methylsulfonylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 55822182) has the molecular formula C17H25N3O6S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 3-(4-methylsulfonylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(4-methylsulfonylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID55822182
Molecular FormulaC17H25N3O6S2
Molecular Weight431.54 g/mol
Exact Mass431.12
IUPAC Name3-(4-methylsulfonylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCS(=O)(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)CC1
InChIInChI=1S/C17H25N3O6S2/c1-27(22,23)20-9-7-19(8-10-20)17(21)14-4-2-6-16(12-14)28(24,25)18-13-15-5-3-11-26-15/h2,4,6,12,15,18H,3,5,7-11,13H2,1H3
InChIKeyIJDZVUPFUMOYEV-UHFFFAOYSA-N
XLogP-0.14
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
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-(2-hydroxybenzoyl)piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 55851242
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-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 98381430
N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42910274
3-(2,5-dimethylmorpholine-4-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 55586374
N-[2-(oxan-2-yl)ethyl]-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 72896002
N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063903
3-(oxolan-2-ylmethylsulfamoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 55364440
N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24539464

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-(4-methylsulfonylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 55822182) is 3-(4-methylsulfonylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-(4-methylsulfonylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-(4-methylsulfonylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide is CS(=O)(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)CC1.
What is the InChIKey of 3-(4-methylsulfonylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is IJDZVUPFUMOYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O6S2/c1-27(22,23)20-9-7-19(8-10-20)17(21)14-4-2-6-16(12-14)28(24,25)18-13-15-5-3-11-26-15/h2,4,6,12,15,18H,3,5,7-11,13H2,1H3.
What are the key properties of 3-(4-methylsulfonylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
3-(4-methylsulfonylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 431.54 g/mol, XLogP of -0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 55822182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).