2-amino-4-piperazin-1-ylbenzenesulfonamide

C10H16N4O2S — CID 79466445

IUPAC2-amino-4-piperazin-1-ylbenzenesulfonamide
SMILESNc1cc(N2CCNCC2)ccc1S(N)(=O)=O
InChIInChI=1S/C10H16N4O2S/c11-9-7-8(14-5-3-13-4-6-14)1-2-10(9)17(12,15)16/h1-2,7,13H,3-6,11H2,(H2,12,15,16)
InChIKeyDSPZUWKNRRBYBW-UHFFFAOYSA-N
MW256.33 g/mol
LogP-0.67
Rot. Bonds2

About 2-amino-4-piperazin-1-ylbenzenesulfonamide

2-amino-4-piperazin-1-ylbenzenesulfonamide (PubChem CID 79466445) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-amino-4-piperazin-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-piperazin-1-ylbenzenesulfonamide
PubChem CID79466445
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name2-amino-4-piperazin-1-ylbenzenesulfonamide
SMILESNc1cc(N2CCNCC2)ccc1S(N)(=O)=O
InChIInChI=1S/C10H16N4O2S/c11-9-7-8(14-5-3-13-4-6-14)1-2-10(9)17(12,15)16/h1-2,7,13H,3-6,11H2,(H2,12,15,16)
InChIKeyDSPZUWKNRRBYBW-UHFFFAOYSA-N
XLogP-0.67
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-piperazin-1-ylbenzenesulfonamide?
The IUPAC name of 2-amino-4-piperazin-1-ylbenzenesulfonamide (CID 79466445) is 2-amino-4-piperazin-1-ylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-piperazin-1-ylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-piperazin-1-ylbenzenesulfonamide is Nc1cc(N2CCNCC2)ccc1S(N)(=O)=O.
What is the InChIKey of 2-amino-4-piperazin-1-ylbenzenesulfonamide?
The InChIKey is DSPZUWKNRRBYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c11-9-7-8(14-5-3-13-4-6-14)1-2-10(9)17(12,15)16/h1-2,7,13H,3-6,11H2,(H2,12,15,16).
What are the key properties of 2-amino-4-piperazin-1-ylbenzenesulfonamide?
2-amino-4-piperazin-1-ylbenzenesulfonamide has a molecular weight of 256.33 g/mol, XLogP of -0.67, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-piperazin-1-ylbenzenesulfonamide is sourced from PubChem (CID 79466445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).