1-(4-fluorophenyl)sulfonylazetidine-3-carboxylic acid

C10H10FNO4S — CID 3766327

IUPAC1-(4-fluorophenyl)sulfonylazetidine-3-carboxylic acid
SMILESO=C(O)C1CN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C10H10FNO4S/c11-8-1-3-9(4-2-8)17(15,16)12-5-7(6-12)10(13)14/h1-4,7H,5-6H2,(H,13,14)
InChIKeyDIIBCOXATOTZJN-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.53
Rot. Bonds3

About 1-(4-fluorophenyl)sulfonylazetidine-3-carboxylic acid

1-(4-fluorophenyl)sulfonylazetidine-3-carboxylic acid (PubChem CID 3766327) has the molecular formula C10H10FNO4S and a molecular weight of 259.26 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonylazetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonylazetidine-3-carboxylic acid
PubChem CID3766327
Molecular FormulaC10H10FNO4S
Molecular Weight259.26 g/mol
Exact Mass259.03
IUPAC Name1-(4-fluorophenyl)sulfonylazetidine-3-carboxylic acid
SMILESO=C(O)C1CN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C10H10FNO4S/c11-8-1-3-9(4-2-8)17(15,16)12-5-7(6-12)10(13)14/h1-4,7H,5-6H2,(H,13,14)
InChIKeyDIIBCOXATOTZJN-UHFFFAOYSA-N
XLogP0.53
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonylazetidine-3-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)sulfonylazetidine-3-carboxylic acid (CID 3766327) is 1-(4-fluorophenyl)sulfonylazetidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonylazetidine-3-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)sulfonylazetidine-3-carboxylic acid is O=C(O)C1CN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonylazetidine-3-carboxylic acid?
The InChIKey is DIIBCOXATOTZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO4S/c11-8-1-3-9(4-2-8)17(15,16)12-5-7(6-12)10(13)14/h1-4,7H,5-6H2,(H,13,14).
What are the key properties of 1-(4-fluorophenyl)sulfonylazetidine-3-carboxylic acid?
1-(4-fluorophenyl)sulfonylazetidine-3-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonylazetidine-3-carboxylic acid is sourced from PubChem (CID 3766327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).