2,4-diaminobenzenesulfonyl fluoride

C6H7FN2O2S — CID 21409472

IUPAC2,4-diaminobenzenesulfonyl fluoride
SMILESNc1ccc(S(=O)(=O)F)c(N)c1
InChIInChI=1S/C6H7FN2O2S/c7-12(10,11)6-2-1-4(8)3-5(6)9/h1-3H,8-9H2
InChIKeyANILPHQAQVACLM-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.51
Rot. Bonds1

About 2,4-diaminobenzenesulfonyl fluoride

2,4-diaminobenzenesulfonyl fluoride (PubChem CID 21409472) has the molecular formula C6H7FN2O2S and a molecular weight of 190.20 g/mol. Its IUPAC name is 2,4-diaminobenzenesulfonyl fluoride.

Molecular Properties

Compound Name2,4-diaminobenzenesulfonyl fluoride
PubChem CID21409472
Molecular FormulaC6H7FN2O2S
Molecular Weight190.20 g/mol
Exact Mass190.02
IUPAC Name2,4-diaminobenzenesulfonyl fluoride
SMILESNc1ccc(S(=O)(=O)F)c(N)c1
InChIInChI=1S/C6H7FN2O2S/c7-12(10,11)6-2-1-4(8)3-5(6)9/h1-3H,8-9H2
InChIKeyANILPHQAQVACLM-UHFFFAOYSA-N
XLogP0.51
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,4-diaminobenzenesulfonyl fluoride with MolForge

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

Launch Full Analysis

Related Compounds

4-amino-2-fluorobenzenesulfonyl fluoride
CID 122164176
4-methylsulfonylbenzene-1,3-diamine
CID 67023137
sodium 2,4-diaminobenzenesulfonate
CID 23678866
aluminum tris(2,4-diaminobenzenesulfonate)
CID 175222789
5-amino-2-chlorobenzenesulfonyl fluoride
CID 54277891
4-amino-2-phenylbenzenesulfonyl fluoride
CID 142017991
3-amino-4-methylsulfonylbenzenesulfonyl fluoride
CID 44725262
6-aminonaphthalene-2-sulfonyl fluoride
CID 86133425
CID 175222790
CID 175222790
2-(2,4-diaminophenyl)sulfonylethyl hydrogen sulfate
CID 14273541
5-amino-2-(4-amino-2-hydroxyphenyl)sulfonylphenol
CID 504331
lithium 2,5-diaminobenzenesulfonate
CID 101305300

Frequently Asked Questions

What is the IUPAC name of 2,4-diaminobenzenesulfonyl fluoride?
The IUPAC name of 2,4-diaminobenzenesulfonyl fluoride (CID 21409472) is 2,4-diaminobenzenesulfonyl fluoride.
What is the SMILES notation for 2,4-diaminobenzenesulfonyl fluoride?
The canonical SMILES for 2,4-diaminobenzenesulfonyl fluoride is Nc1ccc(S(=O)(=O)F)c(N)c1.
What is the InChIKey of 2,4-diaminobenzenesulfonyl fluoride?
The InChIKey is ANILPHQAQVACLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O2S/c7-12(10,11)6-2-1-4(8)3-5(6)9/h1-3H,8-9H2.
What are the key properties of 2,4-diaminobenzenesulfonyl fluoride?
2,4-diaminobenzenesulfonyl fluoride has a molecular weight of 190.20 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diaminobenzenesulfonyl fluoride is sourced from PubChem (CID 21409472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).