2,5-dichloro-4-piperazin-1-ylsulfonylaniline

C10H13Cl2N3O2S — CID 4739576

IUPAC2,5-dichloro-4-piperazin-1-ylsulfonylaniline
SMILESNc1cc(Cl)c(S(=O)(=O)N2CCNCC2)cc1Cl
InChIInChI=1S/C10H13Cl2N3O2S/c11-7-6-10(8(12)5-9(7)13)18(16,17)15-3-1-14-2-4-15/h5-6,14H,1-4,13H2
InChIKeyGCXCOWWWNCHJJC-UHFFFAOYSA-N
MW310.21 g/mol
LogP1.17
Rot. Bonds2

About 2,5-dichloro-4-piperazin-1-ylsulfonylaniline

2,5-dichloro-4-piperazin-1-ylsulfonylaniline (PubChem CID 4739576) has the molecular formula C10H13Cl2N3O2S and a molecular weight of 310.21 g/mol. Its IUPAC name is 2,5-dichloro-4-piperazin-1-ylsulfonylaniline.

Molecular Properties

Compound Name2,5-dichloro-4-piperazin-1-ylsulfonylaniline
PubChem CID4739576
Molecular FormulaC10H13Cl2N3O2S
Molecular Weight310.21 g/mol
Exact Mass309.01
IUPAC Name2,5-dichloro-4-piperazin-1-ylsulfonylaniline
SMILESNc1cc(Cl)c(S(=O)(=O)N2CCNCC2)cc1Cl
InChIInChI=1S/C10H13Cl2N3O2S/c11-7-6-10(8(12)5-9(7)13)18(16,17)15-3-1-14-2-4-15/h5-6,14H,1-4,13H2
InChIKeyGCXCOWWWNCHJJC-UHFFFAOYSA-N
XLogP1.17
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.21
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,5-dichloro-4-piperazin-1-ylsulfonylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-piperazin-1-ylsulfonylaniline?
The IUPAC name of 2,5-dichloro-4-piperazin-1-ylsulfonylaniline (CID 4739576) is 2,5-dichloro-4-piperazin-1-ylsulfonylaniline.
What is the SMILES notation for 2,5-dichloro-4-piperazin-1-ylsulfonylaniline?
The canonical SMILES for 2,5-dichloro-4-piperazin-1-ylsulfonylaniline is Nc1cc(Cl)c(S(=O)(=O)N2CCNCC2)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-piperazin-1-ylsulfonylaniline?
The InChIKey is GCXCOWWWNCHJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3O2S/c11-7-6-10(8(12)5-9(7)13)18(16,17)15-3-1-14-2-4-15/h5-6,14H,1-4,13H2.
What are the key properties of 2,5-dichloro-4-piperazin-1-ylsulfonylaniline?
2,5-dichloro-4-piperazin-1-ylsulfonylaniline has a molecular weight of 310.21 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-piperazin-1-ylsulfonylaniline is sourced from PubChem (CID 4739576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).