5-amino-N-(2-methoxyphenyl)-2-piperidin-1-ylbenzenesulfonamide

C18H23N3O3S — CID 2947325

IUPAC5-amino-N-(2-methoxyphenyl)-2-piperidin-1-ylbenzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(N)ccc1N1CCCCC1
InChIInChI=1S/C18H23N3O3S/c1-24-17-8-4-3-7-15(17)20-25(22,23)18-13-14(19)9-10-16(18)21-11-5-2-6-12-21/h3-4,7-10,13,20H,2,5-6,11-12,19H2,1H3
InChIKeyGLCQITIFTZRCJR-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.07
Rot. Bonds5

About 5-amino-N-(2-methoxyphenyl)-2-piperidin-1-ylbenzenesulfonamide

5-amino-N-(2-methoxyphenyl)-2-piperidin-1-ylbenzenesulfonamide (PubChem CID 2947325) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 5-amino-N-(2-methoxyphenyl)-2-piperidin-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-methoxyphenyl)-2-piperidin-1-ylbenzenesulfonamide
PubChem CID2947325
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name5-amino-N-(2-methoxyphenyl)-2-piperidin-1-ylbenzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(N)ccc1N1CCCCC1
InChIInChI=1S/C18H23N3O3S/c1-24-17-8-4-3-7-15(17)20-25(22,23)18-13-14(19)9-10-16(18)21-11-5-2-6-12-21/h3-4,7-10,13,20H,2,5-6,11-12,19H2,1H3
InChIKeyGLCQITIFTZRCJR-UHFFFAOYSA-N
XLogP3.07
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-methoxyphenyl)-2-piperidin-1-ylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(2-methoxyphenyl)-2-piperidin-1-ylbenzenesulfonamide (CID 2947325) is 5-amino-N-(2-methoxyphenyl)-2-piperidin-1-ylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2-methoxyphenyl)-2-piperidin-1-ylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2-methoxyphenyl)-2-piperidin-1-ylbenzenesulfonamide is COc1ccccc1NS(=O)(=O)c1cc(N)ccc1N1CCCCC1.
What is the InChIKey of 5-amino-N-(2-methoxyphenyl)-2-piperidin-1-ylbenzenesulfonamide?
The InChIKey is GLCQITIFTZRCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-24-17-8-4-3-7-15(17)20-25(22,23)18-13-14(19)9-10-16(18)21-11-5-2-6-12-21/h3-4,7-10,13,20H,2,5-6,11-12,19H2,1H3.
What are the key properties of 5-amino-N-(2-methoxyphenyl)-2-piperidin-1-ylbenzenesulfonamide?
5-amino-N-(2-methoxyphenyl)-2-piperidin-1-ylbenzenesulfonamide has a molecular weight of 361.47 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-methoxyphenyl)-2-piperidin-1-ylbenzenesulfonamide is sourced from PubChem (CID 2947325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).