1-(3,5-dichlorophenyl)sulfonylazetidine-2-carboxylic acid

C10H9Cl2NO4S — CID 22324511

IUPAC1-(3,5-dichlorophenyl)sulfonylazetidine-2-carboxylic acid
SMILESO=C(O)C1CCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H9Cl2NO4S/c11-6-3-7(12)5-8(4-6)18(16,17)13-2-1-9(13)10(14)15/h3-5,9H,1-2H2,(H,14,15)
InChIKeyNKUVDGPPLADUEB-UHFFFAOYSA-N
MW310.16 g/mol
LogP1.84
Rot. Bonds3

About 1-(3,5-dichlorophenyl)sulfonylazetidine-2-carboxylic acid

1-(3,5-dichlorophenyl)sulfonylazetidine-2-carboxylic acid (PubChem CID 22324511) has the molecular formula C10H9Cl2NO4S and a molecular weight of 310.16 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)sulfonylazetidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)sulfonylazetidine-2-carboxylic acid
PubChem CID22324511
Molecular FormulaC10H9Cl2NO4S
Molecular Weight310.16 g/mol
Exact Mass308.96
IUPAC Name1-(3,5-dichlorophenyl)sulfonylazetidine-2-carboxylic acid
SMILESO=C(O)C1CCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H9Cl2NO4S/c11-6-3-7(12)5-8(4-6)18(16,17)13-2-1-9(13)10(14)15/h3-5,9H,1-2H2,(H,14,15)
InChIKeyNKUVDGPPLADUEB-UHFFFAOYSA-N
XLogP1.84
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)sulfonylazetidine-2-carboxylic acid?
The IUPAC name of 1-(3,5-dichlorophenyl)sulfonylazetidine-2-carboxylic acid (CID 22324511) is 1-(3,5-dichlorophenyl)sulfonylazetidine-2-carboxylic acid.
What is the SMILES notation for 1-(3,5-dichlorophenyl)sulfonylazetidine-2-carboxylic acid?
The canonical SMILES for 1-(3,5-dichlorophenyl)sulfonylazetidine-2-carboxylic acid is O=C(O)C1CCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)sulfonylazetidine-2-carboxylic acid?
The InChIKey is NKUVDGPPLADUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO4S/c11-6-3-7(12)5-8(4-6)18(16,17)13-2-1-9(13)10(14)15/h3-5,9H,1-2H2,(H,14,15).
What are the key properties of 1-(3,5-dichlorophenyl)sulfonylazetidine-2-carboxylic acid?
1-(3,5-dichlorophenyl)sulfonylazetidine-2-carboxylic acid has a molecular weight of 310.16 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)sulfonylazetidine-2-carboxylic acid is sourced from PubChem (CID 22324511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).