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

C10H10FNO4S — CID 62707117

IUPAC1-(3-fluorophenyl)sulfonylazetidine-3-carboxylic acid
SMILESO=C(O)C1CN(S(=O)(=O)c2cccc(F)c2)C1
InChIInChI=1S/C10H10FNO4S/c11-8-2-1-3-9(4-8)17(15,16)12-5-7(6-12)10(13)14/h1-4,7H,5-6H2,(H,13,14)
InChIKeyDSORINOHDREPQM-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.53
Rot. Bonds3

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

1-(3-fluorophenyl)sulfonylazetidine-3-carboxylic acid (PubChem CID 62707117) has the molecular formula C10H10FNO4S and a molecular weight of 259.26 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonylazetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonylazetidine-3-carboxylic acid
PubChem CID62707117
Molecular FormulaC10H10FNO4S
Molecular Weight259.26 g/mol
Exact Mass259.03
IUPAC Name1-(3-fluorophenyl)sulfonylazetidine-3-carboxylic acid
SMILESO=C(O)C1CN(S(=O)(=O)c2cccc(F)c2)C1
InChIInChI=1S/C10H10FNO4S/c11-8-2-1-3-9(4-8)17(15,16)12-5-7(6-12)10(13)14/h1-4,7H,5-6H2,(H,13,14)
InChIKeyDSORINOHDREPQM-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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Related Compounds

3-(Benzenesulfonyl-methyl-amino)-propionic acid
CID 268539
3-(4-Fluorobenzenesulfonamido)propanoic acid
CID 757411
N-(2-carboxyethyl)-N-(phenylsulfonyl)-beta-alanine
CID 221045
3-(2-Fluorobenzenesulfonamido)propanoic acid
CID 697745
4-(N-methyl-4-fluorobenzenesulfonamido)butanoic acid
CID 2535057
Ethyl 1-(benzenesulfonyl)azetidine-3-carboxylate
CID 3723590
Ethyl 1-[(4-fluorophenyl)sulfonyl]-3-azetanecarboxylate
CID 3723592
3-((3-Fluorophenyl)sulfonamido)propanoic acid
CID 852331
1-Tosylazetidine-3-carboxylic acid
CID 20029134
3-(3,4-Difluorobenzenesulfonamido)propanoic acid
CID 2512736
1-(4-Fluorobenzenesulfonyl)azetidine-3-carboxylic acid
CID 3766327
[(4-Fluoro-benzenesulfonyl)-isobutyl-amino]-acetic acid
CID 21697167

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfonylazetidine-3-carboxylic acid?
The IUPAC name of 1-(3-fluorophenyl)sulfonylazetidine-3-carboxylic acid (CID 62707117) is 1-(3-fluorophenyl)sulfonylazetidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonylazetidine-3-carboxylic acid?
The canonical SMILES for 1-(3-fluorophenyl)sulfonylazetidine-3-carboxylic acid is O=C(O)C1CN(S(=O)(=O)c2cccc(F)c2)C1.
What is the InChIKey of 1-(3-fluorophenyl)sulfonylazetidine-3-carboxylic acid?
The InChIKey is DSORINOHDREPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO4S/c11-8-2-1-3-9(4-8)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-(3-fluorophenyl)sulfonylazetidine-3-carboxylic acid?
1-(3-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-(3-fluorophenyl)sulfonylazetidine-3-carboxylic acid is sourced from PubChem (CID 62707117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).