(4-aminophenyl)methanesulfonyl fluoride

C7H8FNO2S — CID 11446810

IUPAC(4-aminophenyl)methanesulfonyl fluoride
SMILESNc1ccc(CS(=O)(=O)F)cc1
InChIInChI=1S/C7H8FNO2S/c8-12(10,11)5-6-1-3-7(9)4-2-6/h1-4H,5,9H2
InChIKeyUEIYTKSRDAAVTP-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.07
Rot. Bonds2

About (4-aminophenyl)methanesulfonyl fluoride

(4-aminophenyl)methanesulfonyl fluoride (PubChem CID 11446810) has the molecular formula C7H8FNO2S and a molecular weight of 189.21 g/mol. Its IUPAC name is (4-aminophenyl)methanesulfonyl fluoride.

Molecular Properties

Compound Name(4-aminophenyl)methanesulfonyl fluoride
PubChem CID11446810
Molecular FormulaC7H8FNO2S
Molecular Weight189.21 g/mol
Exact Mass189.03
IUPAC Name(4-aminophenyl)methanesulfonyl fluoride
SMILESNc1ccc(CS(=O)(=O)F)cc1
InChIInChI=1S/C7H8FNO2S/c8-12(10,11)5-6-1-3-7(9)4-2-6/h1-4H,5,9H2
InChIKeyUEIYTKSRDAAVTP-UHFFFAOYSA-N
XLogP1.07
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)methanesulfonyl fluoride?
The IUPAC name of (4-aminophenyl)methanesulfonyl fluoride (CID 11446810) is (4-aminophenyl)methanesulfonyl fluoride.
What is the SMILES notation for (4-aminophenyl)methanesulfonyl fluoride?
The canonical SMILES for (4-aminophenyl)methanesulfonyl fluoride is Nc1ccc(CS(=O)(=O)F)cc1.
What is the InChIKey of (4-aminophenyl)methanesulfonyl fluoride?
The InChIKey is UEIYTKSRDAAVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO2S/c8-12(10,11)5-6-1-3-7(9)4-2-6/h1-4H,5,9H2.
What are the key properties of (4-aminophenyl)methanesulfonyl fluoride?
(4-aminophenyl)methanesulfonyl fluoride has a molecular weight of 189.21 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)methanesulfonyl fluoride is sourced from PubChem (CID 11446810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).