5-aminobenzene-1,3-disulfonyl fluoride

C6H5F2NO4S2 — CID 19369074

IUPAC5-aminobenzene-1,3-disulfonyl fluoride
SMILESNc1cc(S(=O)(=O)F)cc(S(=O)(=O)F)c1
InChIInChI=1S/C6H5F2NO4S2/c7-14(10,11)5-1-4(9)2-6(3-5)15(8,12)13/h1-3H,9H2
InChIKeyBEGNCWNGPOGPPO-UHFFFAOYSA-N
MW257.24 g/mol
LogP0.59
Rot. Bonds2

About 5-aminobenzene-1,3-disulfonyl fluoride

5-aminobenzene-1,3-disulfonyl fluoride (PubChem CID 19369074) has the molecular formula C6H5F2NO4S2 and a molecular weight of 257.24 g/mol. Its IUPAC name is 5-aminobenzene-1,3-disulfonyl fluoride.

Molecular Properties

Compound Name5-aminobenzene-1,3-disulfonyl fluoride
PubChem CID19369074
Molecular FormulaC6H5F2NO4S2
Molecular Weight257.24 g/mol
Exact Mass256.96
IUPAC Name5-aminobenzene-1,3-disulfonyl fluoride
SMILESNc1cc(S(=O)(=O)F)cc(S(=O)(=O)F)c1
InChIInChI=1S/C6H5F2NO4S2/c7-14(10,11)5-1-4(9)2-6(3-5)15(8,12)13/h1-3H,9H2
InChIKeyBEGNCWNGPOGPPO-UHFFFAOYSA-N
XLogP0.59
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 50.59
H-Bond Donors ≤ 51
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 5-aminobenzene-1,3-disulfonyl fluoride?
The IUPAC name of 5-aminobenzene-1,3-disulfonyl fluoride (CID 19369074) is 5-aminobenzene-1,3-disulfonyl fluoride.
What is the SMILES notation for 5-aminobenzene-1,3-disulfonyl fluoride?
The canonical SMILES for 5-aminobenzene-1,3-disulfonyl fluoride is Nc1cc(S(=O)(=O)F)cc(S(=O)(=O)F)c1.
What is the InChIKey of 5-aminobenzene-1,3-disulfonyl fluoride?
The InChIKey is BEGNCWNGPOGPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO4S2/c7-14(10,11)5-1-4(9)2-6(3-5)15(8,12)13/h1-3H,9H2.
What are the key properties of 5-aminobenzene-1,3-disulfonyl fluoride?
5-aminobenzene-1,3-disulfonyl fluoride has a molecular weight of 257.24 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminobenzene-1,3-disulfonyl fluoride is sourced from PubChem (CID 19369074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).