4-amino-5,6-dichlorobenzene-1,3-disulfonamide

C6H7Cl2N3O4S2 — CID 2781602

IUPAC4-amino-5,6-dichlorobenzene-1,3-disulfonamide
SMILESNc1c(S(N)(=O)=O)cc(S(N)(=O)=O)c(Cl)c1Cl
InChIInChI=1S/C6H7Cl2N3O4S2/c7-4-2(16(10,12)13)1-3(17(11,14)15)6(9)5(4)8/h1H,9H2,(H2,10,12,13)(H2,11,14,15)
InChIKeyDNBXGTICJYDFDT-UHFFFAOYSA-N
MW320.18 g/mol
LogP-0.13
Rot. Bonds2

About 4-amino-5,6-dichlorobenzene-1,3-disulfonamide

4-amino-5,6-dichlorobenzene-1,3-disulfonamide (PubChem CID 2781602) has the molecular formula C6H7Cl2N3O4S2 and a molecular weight of 320.18 g/mol. Its IUPAC name is 4-amino-5,6-dichlorobenzene-1,3-disulfonamide.

Molecular Properties

Compound Name4-amino-5,6-dichlorobenzene-1,3-disulfonamide
PubChem CID2781602
Molecular FormulaC6H7Cl2N3O4S2
Molecular Weight320.18 g/mol
Exact Mass318.93
IUPAC Name4-amino-5,6-dichlorobenzene-1,3-disulfonamide
SMILESNc1c(S(N)(=O)=O)cc(S(N)(=O)=O)c(Cl)c1Cl
InChIInChI=1S/C6H7Cl2N3O4S2/c7-4-2(16(10,12)13)1-3(17(11,14)15)6(9)5(4)8/h1H,9H2,(H2,10,12,13)(H2,11,14,15)
InChIKeyDNBXGTICJYDFDT-UHFFFAOYSA-N
XLogP-0.13
TPSA146.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 5-0.13
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 4-amino-5,6-dichlorobenzene-1,3-disulfonamide?
The IUPAC name of 4-amino-5,6-dichlorobenzene-1,3-disulfonamide (CID 2781602) is 4-amino-5,6-dichlorobenzene-1,3-disulfonamide.
What is the SMILES notation for 4-amino-5,6-dichlorobenzene-1,3-disulfonamide?
The canonical SMILES for 4-amino-5,6-dichlorobenzene-1,3-disulfonamide is Nc1c(S(N)(=O)=O)cc(S(N)(=O)=O)c(Cl)c1Cl.
What is the InChIKey of 4-amino-5,6-dichlorobenzene-1,3-disulfonamide?
The InChIKey is DNBXGTICJYDFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2N3O4S2/c7-4-2(16(10,12)13)1-3(17(11,14)15)6(9)5(4)8/h1H,9H2,(H2,10,12,13)(H2,11,14,15).
What are the key properties of 4-amino-5,6-dichlorobenzene-1,3-disulfonamide?
4-amino-5,6-dichlorobenzene-1,3-disulfonamide has a molecular weight of 320.18 g/mol, XLogP of -0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,6-dichlorobenzene-1,3-disulfonamide is sourced from PubChem (CID 2781602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).