3-(methylamino)benzenesulfonyl fluoride

C7H8FNO2S — CID 139925950

IUPAC3-(methylamino)benzenesulfonyl fluoride
SMILESCNc1cccc(S(=O)(=O)F)c1
InChIInChI=1S/C7H8FNO2S/c1-9-6-3-2-4-7(5-6)12(8,10)11/h2-5,9H,1H3
InChIKeyXGSLSQKGZRCILA-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.39
Rot. Bonds2

About 3-(methylamino)benzenesulfonyl fluoride

3-(methylamino)benzenesulfonyl fluoride (PubChem CID 139925950) has the molecular formula C7H8FNO2S and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-(methylamino)benzenesulfonyl fluoride.

Molecular Properties

Compound Name3-(methylamino)benzenesulfonyl fluoride
PubChem CID139925950
Molecular FormulaC7H8FNO2S
Molecular Weight189.21 g/mol
Exact Mass189.03
IUPAC Name3-(methylamino)benzenesulfonyl fluoride
SMILESCNc1cccc(S(=O)(=O)F)c1
InChIInChI=1S/C7H8FNO2S/c1-9-6-3-2-4-7(5-6)12(8,10)11/h2-5,9H,1H3
InChIKeyXGSLSQKGZRCILA-UHFFFAOYSA-N
XLogP1.39
TPSA46.17 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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)benzenesulfonyl fluoride?
The IUPAC name of 3-(methylamino)benzenesulfonyl fluoride (CID 139925950) is 3-(methylamino)benzenesulfonyl fluoride.
What is the SMILES notation for 3-(methylamino)benzenesulfonyl fluoride?
The canonical SMILES for 3-(methylamino)benzenesulfonyl fluoride is CNc1cccc(S(=O)(=O)F)c1.
What is the InChIKey of 3-(methylamino)benzenesulfonyl fluoride?
The InChIKey is XGSLSQKGZRCILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO2S/c1-9-6-3-2-4-7(5-6)12(8,10)11/h2-5,9H,1H3.
What are the key properties of 3-(methylamino)benzenesulfonyl fluoride?
3-(methylamino)benzenesulfonyl fluoride has a molecular weight of 189.21 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)benzenesulfonyl fluoride is sourced from PubChem (CID 139925950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).