N-(3-aminophenyl)piperidine-1-sulfonamide

C11H17N3O2S — CID 28783328

IUPACN-(3-aminophenyl)piperidine-1-sulfonamide
SMILESNc1cccc(NS(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C11H17N3O2S/c12-10-5-4-6-11(9-10)13-17(15,16)14-7-2-1-3-8-14/h4-6,9,13H,1-3,7-8,12H2
InChIKeyIMYPFUPYZWUUQO-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.41
Rot. Bonds3

About N-(3-aminophenyl)piperidine-1-sulfonamide

N-(3-aminophenyl)piperidine-1-sulfonamide (PubChem CID 28783328) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-(3-aminophenyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminophenyl)piperidine-1-sulfonamide
PubChem CID28783328
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC NameN-(3-aminophenyl)piperidine-1-sulfonamide
SMILESNc1cccc(NS(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C11H17N3O2S/c12-10-5-4-6-11(9-10)13-17(15,16)14-7-2-1-3-8-14/h4-6,9,13H,1-3,7-8,12H2
InChIKeyIMYPFUPYZWUUQO-UHFFFAOYSA-N
XLogP1.41
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)piperidine-1-sulfonamide?
The IUPAC name of N-(3-aminophenyl)piperidine-1-sulfonamide (CID 28783328) is N-(3-aminophenyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(3-aminophenyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(3-aminophenyl)piperidine-1-sulfonamide is Nc1cccc(NS(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(3-aminophenyl)piperidine-1-sulfonamide?
The InChIKey is IMYPFUPYZWUUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c12-10-5-4-6-11(9-10)13-17(15,16)14-7-2-1-3-8-14/h4-6,9,13H,1-3,7-8,12H2.
What are the key properties of N-(3-aminophenyl)piperidine-1-sulfonamide?
N-(3-aminophenyl)piperidine-1-sulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)piperidine-1-sulfonamide is sourced from PubChem (CID 28783328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).