5-amino-N-(4-chlorophenyl)-2-piperidin-1-ylbenzenesulfonamide

C17H20ClN3O2S — CID 3422328

IUPAC5-amino-N-(4-chlorophenyl)-2-piperidin-1-ylbenzenesulfonamide
SMILESNc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H20ClN3O2S/c18-13-4-7-15(8-5-13)20-24(22,23)17-12-14(19)6-9-16(17)21-10-2-1-3-11-21/h4-9,12,20H,1-3,10-11,19H2
InChIKeyXURBEKRBQPXBGF-UHFFFAOYSA-N
MW365.89 g/mol
LogP3.71
Rot. Bonds4

About 5-amino-N-(4-chlorophenyl)-2-piperidin-1-ylbenzenesulfonamide

5-amino-N-(4-chlorophenyl)-2-piperidin-1-ylbenzenesulfonamide (PubChem CID 3422328) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is 5-amino-N-(4-chlorophenyl)-2-piperidin-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(4-chlorophenyl)-2-piperidin-1-ylbenzenesulfonamide
PubChem CID3422328
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC Name5-amino-N-(4-chlorophenyl)-2-piperidin-1-ylbenzenesulfonamide
SMILESNc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H20ClN3O2S/c18-13-4-7-15(8-5-13)20-24(22,23)17-12-14(19)6-9-16(17)21-10-2-1-3-11-21/h4-9,12,20H,1-3,10-11,19H2
InChIKeyXURBEKRBQPXBGF-UHFFFAOYSA-N
XLogP3.71
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-chlorophenyl)-2-piperidin-1-ylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(4-chlorophenyl)-2-piperidin-1-ylbenzenesulfonamide (CID 3422328) is 5-amino-N-(4-chlorophenyl)-2-piperidin-1-ylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(4-chlorophenyl)-2-piperidin-1-ylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(4-chlorophenyl)-2-piperidin-1-ylbenzenesulfonamide is Nc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 5-amino-N-(4-chlorophenyl)-2-piperidin-1-ylbenzenesulfonamide?
The InChIKey is XURBEKRBQPXBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2S/c18-13-4-7-15(8-5-13)20-24(22,23)17-12-14(19)6-9-16(17)21-10-2-1-3-11-21/h4-9,12,20H,1-3,10-11,19H2.
What are the key properties of 5-amino-N-(4-chlorophenyl)-2-piperidin-1-ylbenzenesulfonamide?
5-amino-N-(4-chlorophenyl)-2-piperidin-1-ylbenzenesulfonamide has a molecular weight of 365.89 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-chlorophenyl)-2-piperidin-1-ylbenzenesulfonamide is sourced from PubChem (CID 3422328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).