N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide

C18H22N2O3S — CID 110359707

IUPACN-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
SMILESCOc1ccc(N2CCCCC2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-23-18-11-10-15(20-12-6-3-7-13-20)14-17(18)19-24(21,22)16-8-4-2-5-9-16/h2,4-5,8-11,14,19H,3,6-7,12-13H2,1H3
InChIKeyXLFXNHOOFXQNHA-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.49
Rot. Bonds5

About N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide

N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide (PubChem CID 110359707) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
PubChem CID110359707
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
SMILESCOc1ccc(N2CCCCC2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-23-18-11-10-15(20-12-6-3-7-13-20)14-17(18)19-24(21,22)16-8-4-2-5-9-16/h2,4-5,8-11,14,19H,3,6-7,12-13H2,1H3
InChIKeyXLFXNHOOFXQNHA-UHFFFAOYSA-N
XLogP3.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359709
4-acetyl-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359732
N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzenesulfonamide
CID 110362056
N-(2-methyl-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110362204
N-(2-methoxy-5-piperidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide
CID 110359714
2-methoxy-N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-5-methylbenzenesulfonamide
CID 110362064
N-(2-methoxy-5-piperidin-1-ylphenyl)-1-(2-methylphenyl)methanesulfonamide
CID 110359721
3-[(2-methoxy-5-morpholin-4-ylphenyl)sulfamoyl]benzoic acid
CID 110613237
N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110362086
2-(2-methoxyethoxy)-N-(2-methoxy-5-piperidin-1-ylphenyl)ethanesulfonamide
CID 110613184
1-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylphenyl)methanesulfonamide
CID 110359724
4-ethoxy-N-(2-methoxy-5-morpholin-4-ylphenyl)benzenesulfonamide
CID 110359849

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide?
The IUPAC name of N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide (CID 110359707) is N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide is COc1ccc(N2CCCCC2)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide?
The InChIKey is XLFXNHOOFXQNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-23-18-11-10-15(20-12-6-3-7-13-20)14-17(18)19-24(21,22)16-8-4-2-5-9-16/h2,4-5,8-11,14,19H,3,6-7,12-13H2,1H3.
What are the key properties of N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide?
N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide has a molecular weight of 346.45 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 110359707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).