4-cyclopropylsulfonylbenzenesulfonyl fluoride

C9H9FO4S2 — CID 166000908

IUPAC4-cyclopropylsulfonylbenzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C9H9FO4S2/c10-16(13,14)9-5-3-8(4-6-9)15(11,12)7-1-2-7/h3-7H,1-2H2
InChIKeyWUQYRQVOTQUHPC-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.28
Rot. Bonds3

About 4-cyclopropylsulfonylbenzenesulfonyl fluoride

4-cyclopropylsulfonylbenzenesulfonyl fluoride (PubChem CID 166000908) has the molecular formula C9H9FO4S2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 4-cyclopropylsulfonylbenzenesulfonyl fluoride.

Molecular Properties

Compound Name4-cyclopropylsulfonylbenzenesulfonyl fluoride
PubChem CID166000908
Molecular FormulaC9H9FO4S2
Molecular Weight264.30 g/mol
Exact Mass263.99
IUPAC Name4-cyclopropylsulfonylbenzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C9H9FO4S2/c10-16(13,14)9-5-3-8(4-6-9)15(11,12)7-1-2-7/h3-7H,1-2H2
InChIKeyWUQYRQVOTQUHPC-UHFFFAOYSA-N
XLogP1.28
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonylbenzenesulfonyl fluoride?
The IUPAC name of 4-cyclopropylsulfonylbenzenesulfonyl fluoride (CID 166000908) is 4-cyclopropylsulfonylbenzenesulfonyl fluoride.
What is the SMILES notation for 4-cyclopropylsulfonylbenzenesulfonyl fluoride?
The canonical SMILES for 4-cyclopropylsulfonylbenzenesulfonyl fluoride is O=S(=O)(F)c1ccc(S(=O)(=O)C2CC2)cc1.
What is the InChIKey of 4-cyclopropylsulfonylbenzenesulfonyl fluoride?
The InChIKey is WUQYRQVOTQUHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO4S2/c10-16(13,14)9-5-3-8(4-6-9)15(11,12)7-1-2-7/h3-7H,1-2H2.
What are the key properties of 4-cyclopropylsulfonylbenzenesulfonyl fluoride?
4-cyclopropylsulfonylbenzenesulfonyl fluoride has a molecular weight of 264.30 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonylbenzenesulfonyl fluoride is sourced from PubChem (CID 166000908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).