2-[N-(2-fluorosulfonylethyl)anilino]ethanesulfonyl fluoride

C10H13F2NO4S2 — CID 12553437

IUPAC2-[N-(2-fluorosulfonylethyl)anilino]ethanesulfonyl fluoride
SMILESO=S(=O)(F)CCN(CCS(=O)(=O)F)c1ccccc1
InChIInChI=1S/C10H13F2NO4S2/c11-18(14,15)8-6-13(7-9-19(12,16)17)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeyCAEKHRFKWKVLNK-UHFFFAOYSA-N
MW313.35 g/mol
LogP1.09
Rot. Bonds7

About 2-[N-(2-fluorosulfonylethyl)anilino]ethanesulfonyl fluoride

2-[N-(2-fluorosulfonylethyl)anilino]ethanesulfonyl fluoride (PubChem CID 12553437) has the molecular formula C10H13F2NO4S2 and a molecular weight of 313.35 g/mol. Its IUPAC name is 2-[N-(2-fluorosulfonylethyl)anilino]ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-[N-(2-fluorosulfonylethyl)anilino]ethanesulfonyl fluoride
PubChem CID12553437
Molecular FormulaC10H13F2NO4S2
Molecular Weight313.35 g/mol
Exact Mass313.03
IUPAC Name2-[N-(2-fluorosulfonylethyl)anilino]ethanesulfonyl fluoride
SMILESO=S(=O)(F)CCN(CCS(=O)(=O)F)c1ccccc1
InChIInChI=1S/C10H13F2NO4S2/c11-18(14,15)8-6-13(7-9-19(12,16)17)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeyCAEKHRFKWKVLNK-UHFFFAOYSA-N
XLogP1.09
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-fluorosulfonylethyl)anilino]ethanesulfonyl fluoride?
The IUPAC name of 2-[N-(2-fluorosulfonylethyl)anilino]ethanesulfonyl fluoride (CID 12553437) is 2-[N-(2-fluorosulfonylethyl)anilino]ethanesulfonyl fluoride.
What is the SMILES notation for 2-[N-(2-fluorosulfonylethyl)anilino]ethanesulfonyl fluoride?
The canonical SMILES for 2-[N-(2-fluorosulfonylethyl)anilino]ethanesulfonyl fluoride is O=S(=O)(F)CCN(CCS(=O)(=O)F)c1ccccc1.
What is the InChIKey of 2-[N-(2-fluorosulfonylethyl)anilino]ethanesulfonyl fluoride?
The InChIKey is CAEKHRFKWKVLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO4S2/c11-18(14,15)8-6-13(7-9-19(12,16)17)10-4-2-1-3-5-10/h1-5H,6-9H2.
What are the key properties of 2-[N-(2-fluorosulfonylethyl)anilino]ethanesulfonyl fluoride?
2-[N-(2-fluorosulfonylethyl)anilino]ethanesulfonyl fluoride has a molecular weight of 313.35 g/mol, XLogP of 1.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-fluorosulfonylethyl)anilino]ethanesulfonyl fluoride is sourced from PubChem (CID 12553437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).