4-(2-aminoethyl)benzenesulfonyl fluoride

C8H10FNO2S — CID 1701

IUPAC4-(2-aminoethyl)benzenesulfonyl fluoride
SMILESNCCc1ccc(S(=O)(=O)F)cc1
InChIInChI=1S/C8H10FNO2S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
InChIKeyMGSKVZWGBWPBTF-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.85
Rot. Bonds3

About 4-(2-aminoethyl)benzenesulfonyl fluoride

4-(2-aminoethyl)benzenesulfonyl fluoride (PubChem CID 1701) has the molecular formula C8H10FNO2S and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-(2-aminoethyl)benzenesulfonyl fluoride.

Molecular Properties

Compound Name4-(2-aminoethyl)benzenesulfonyl fluoride
PubChem CID1701
Molecular FormulaC8H10FNO2S
Molecular Weight203.24 g/mol
Exact Mass203.04
IUPAC Name4-(2-aminoethyl)benzenesulfonyl fluoride
SMILESNCCc1ccc(S(=O)(=O)F)cc1
InChIInChI=1S/C8H10FNO2S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
InChIKeyMGSKVZWGBWPBTF-UHFFFAOYSA-N
XLogP0.85
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(trifluoromethylsulfonyl)phenyl]ethanamine
CID 63203657
2-(4-methylsulfonylphenyl)ethanamine chloride
CID 20849935
4-(2-cyanoethyl)benzenesulfonyl fluoride
CID 165452862
2-[4-(2-aminoethyl)phenyl]ethanamine;hydroiodide
CID 175484243
2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride
CID 68536204
4-(2-aminoethyl)-N-ethylbenzenesulfonamide
CID 16643231
2-(4-prop-2-ynylsulfonylphenyl)ethanamine;hydrochloride
CID 19748052
4-(2-aminoethyl)-N',N'-dimethylbenzenesulfonohydrazide
CID 83014637
4-[4-(2-aminoethyl)phenyl]-N-methylbenzenesulfonamide
CID 171387358
4-(chlorosulfonylmethyl)benzenesulfonyl fluoride
CID 117062919
4-benzylbenzenesulfonyl fluoride
CID 139660106
[4-(2-aminoethyl)phenyl] sulfate
CID 50936769

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)benzenesulfonyl fluoride?
The IUPAC name of 4-(2-aminoethyl)benzenesulfonyl fluoride (CID 1701) is 4-(2-aminoethyl)benzenesulfonyl fluoride.
What is the SMILES notation for 4-(2-aminoethyl)benzenesulfonyl fluoride?
The canonical SMILES for 4-(2-aminoethyl)benzenesulfonyl fluoride is NCCc1ccc(S(=O)(=O)F)cc1.
What is the InChIKey of 4-(2-aminoethyl)benzenesulfonyl fluoride?
The InChIKey is MGSKVZWGBWPBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2.
What are the key properties of 4-(2-aminoethyl)benzenesulfonyl fluoride?
4-(2-aminoethyl)benzenesulfonyl fluoride has a molecular weight of 203.24 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)benzenesulfonyl fluoride is sourced from PubChem (CID 1701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).