4-amino-2-fluorobenzenesulfonyl fluoride

C6H5F2NO2S — CID 122164176

IUPAC4-amino-2-fluorobenzenesulfonyl fluoride
SMILESNc1ccc(S(=O)(=O)F)c(F)c1
InChIInChI=1S/C6H5F2NO2S/c7-5-3-4(9)1-2-6(5)12(8,10)11/h1-3H,9H2
InChIKeyIDUVXPUMLXJMCN-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.07
Rot. Bonds1

About 4-amino-2-fluorobenzenesulfonyl fluoride

4-amino-2-fluorobenzenesulfonyl fluoride (PubChem CID 122164176) has the molecular formula C6H5F2NO2S and a molecular weight of 193.17 g/mol. Its IUPAC name is 4-amino-2-fluorobenzenesulfonyl fluoride.

Molecular Properties

Compound Name4-amino-2-fluorobenzenesulfonyl fluoride
PubChem CID122164176
Molecular FormulaC6H5F2NO2S
Molecular Weight193.17 g/mol
Exact Mass193.00
IUPAC Name4-amino-2-fluorobenzenesulfonyl fluoride
SMILESNc1ccc(S(=O)(=O)F)c(F)c1
InChIInChI=1S/C6H5F2NO2S/c7-5-3-4(9)1-2-6(5)12(8,10)11/h1-3H,9H2
InChIKeyIDUVXPUMLXJMCN-UHFFFAOYSA-N
XLogP1.07
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-diaminobenzenesulfonyl fluoride
CID 21409472
3-fluoro-4-(trifluoromethylsulfonyl)aniline
CID 81192069
2,4-difluorobenzenesulfonyl fluoride
CID 10867234
3-fluoro-4-(pyrimidin-2-ylmethylsulfonyl)aniline
CID 81193163
5-amino-2-chlorobenzenesulfonyl fluoride
CID 54277891
4-amino-2-fluoro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012823
4-butan-2-ylsulfonyl-3-fluoroaniline
CID 81191829
4-amino-2-phenylbenzenesulfonyl fluoride
CID 142017991
4-(chloromethyl)-2-fluorobenzenesulfonyl fluoride
CID 165465640
4-amino-2-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79352947
3-fluoro-4-pentan-2-ylsulfonylaniline
CID 107889499
3-fluoro-4-hexylsulfonylaniline
CID 81191687

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluorobenzenesulfonyl fluoride?
The IUPAC name of 4-amino-2-fluorobenzenesulfonyl fluoride (CID 122164176) is 4-amino-2-fluorobenzenesulfonyl fluoride.
What is the SMILES notation for 4-amino-2-fluorobenzenesulfonyl fluoride?
The canonical SMILES for 4-amino-2-fluorobenzenesulfonyl fluoride is Nc1ccc(S(=O)(=O)F)c(F)c1.
What is the InChIKey of 4-amino-2-fluorobenzenesulfonyl fluoride?
The InChIKey is IDUVXPUMLXJMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO2S/c7-5-3-4(9)1-2-6(5)12(8,10)11/h1-3H,9H2.
What are the key properties of 4-amino-2-fluorobenzenesulfonyl fluoride?
4-amino-2-fluorobenzenesulfonyl fluoride has a molecular weight of 193.17 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluorobenzenesulfonyl fluoride is sourced from PubChem (CID 122164176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).