4-(2-aminoethyl)-2-chlorobenzenesulfonyl fluoride

C8H9ClFNO2S — CID 90954501

IUPAC4-(2-aminoethyl)-2-chlorobenzenesulfonyl fluoride
SMILESNCCc1ccc(S(=O)(=O)F)c(Cl)c1
InChIInChI=1S/C8H9ClFNO2S/c9-7-5-6(3-4-11)1-2-8(7)14(10,12)13/h1-2,5H,3-4,11H2
InChIKeyRKTKAQZLFMAPFK-UHFFFAOYSA-N
MW237.68 g/mol
LogP1.50
Rot. Bonds3

About 4-(2-aminoethyl)-2-chlorobenzenesulfonyl fluoride

4-(2-aminoethyl)-2-chlorobenzenesulfonyl fluoride (PubChem CID 90954501) has the molecular formula C8H9ClFNO2S and a molecular weight of 237.68 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2-chlorobenzenesulfonyl fluoride.

Molecular Properties

Compound Name4-(2-aminoethyl)-2-chlorobenzenesulfonyl fluoride
PubChem CID90954501
Molecular FormulaC8H9ClFNO2S
Molecular Weight237.68 g/mol
Exact Mass237.00
IUPAC Name4-(2-aminoethyl)-2-chlorobenzenesulfonyl fluoride
SMILESNCCc1ccc(S(=O)(=O)F)c(Cl)c1
InChIInChI=1S/C8H9ClFNO2S/c9-7-5-6(3-4-11)1-2-8(7)14(10,12)13/h1-2,5H,3-4,11H2
InChIKeyRKTKAQZLFMAPFK-UHFFFAOYSA-N
XLogP1.50
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.68
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2-chlorobenzenesulfonyl fluoride?
The IUPAC name of 4-(2-aminoethyl)-2-chlorobenzenesulfonyl fluoride (CID 90954501) is 4-(2-aminoethyl)-2-chlorobenzenesulfonyl fluoride.
What is the SMILES notation for 4-(2-aminoethyl)-2-chlorobenzenesulfonyl fluoride?
The canonical SMILES for 4-(2-aminoethyl)-2-chlorobenzenesulfonyl fluoride is NCCc1ccc(S(=O)(=O)F)c(Cl)c1.
What is the InChIKey of 4-(2-aminoethyl)-2-chlorobenzenesulfonyl fluoride?
The InChIKey is RKTKAQZLFMAPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO2S/c9-7-5-6(3-4-11)1-2-8(7)14(10,12)13/h1-2,5H,3-4,11H2.
What are the key properties of 4-(2-aminoethyl)-2-chlorobenzenesulfonyl fluoride?
4-(2-aminoethyl)-2-chlorobenzenesulfonyl fluoride has a molecular weight of 237.68 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2-chlorobenzenesulfonyl fluoride is sourced from PubChem (CID 90954501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).