2-oxo-4-(4-propylphenyl)azetidine-1-sulfonyl chloride

C12H14ClNO3S — CID 66352278

IUPAC2-oxo-4-(4-propylphenyl)azetidine-1-sulfonyl chloride
SMILESCCCc1ccc(C2CC(=O)N2S(=O)(=O)Cl)cc1
InChIInChI=1S/C12H14ClNO3S/c1-2-3-9-4-6-10(7-5-9)11-8-12(15)14(11)18(13,16)17/h4-7,11H,2-3,8H2,1H3
InChIKeyDHGVQSWFUYZLHK-UHFFFAOYSA-N
MW287.77 g/mol
LogP2.40
Rot. Bonds4

About 2-oxo-4-(4-propylphenyl)azetidine-1-sulfonyl chloride

2-oxo-4-(4-propylphenyl)azetidine-1-sulfonyl chloride (PubChem CID 66352278) has the molecular formula C12H14ClNO3S and a molecular weight of 287.77 g/mol. Its IUPAC name is 2-oxo-4-(4-propylphenyl)azetidine-1-sulfonyl chloride.

Molecular Properties

Compound Name2-oxo-4-(4-propylphenyl)azetidine-1-sulfonyl chloride
PubChem CID66352278
Molecular FormulaC12H14ClNO3S
Molecular Weight287.77 g/mol
Exact Mass287.04
IUPAC Name2-oxo-4-(4-propylphenyl)azetidine-1-sulfonyl chloride
SMILESCCCc1ccc(C2CC(=O)N2S(=O)(=O)Cl)cc1
InChIInChI=1S/C12H14ClNO3S/c1-2-3-9-4-6-10(7-5-9)11-8-12(15)14(11)18(13,16)17/h4-7,11H,2-3,8H2,1H3
InChIKeyDHGVQSWFUYZLHK-UHFFFAOYSA-N
XLogP2.40
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-(4-propylphenyl)azetidine-1-sulfonyl chloride?
The IUPAC name of 2-oxo-4-(4-propylphenyl)azetidine-1-sulfonyl chloride (CID 66352278) is 2-oxo-4-(4-propylphenyl)azetidine-1-sulfonyl chloride.
What is the SMILES notation for 2-oxo-4-(4-propylphenyl)azetidine-1-sulfonyl chloride?
The canonical SMILES for 2-oxo-4-(4-propylphenyl)azetidine-1-sulfonyl chloride is CCCc1ccc(C2CC(=O)N2S(=O)(=O)Cl)cc1.
What is the InChIKey of 2-oxo-4-(4-propylphenyl)azetidine-1-sulfonyl chloride?
The InChIKey is DHGVQSWFUYZLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3S/c1-2-3-9-4-6-10(7-5-9)11-8-12(15)14(11)18(13,16)17/h4-7,11H,2-3,8H2,1H3.
What are the key properties of 2-oxo-4-(4-propylphenyl)azetidine-1-sulfonyl chloride?
2-oxo-4-(4-propylphenyl)azetidine-1-sulfonyl chloride has a molecular weight of 287.77 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-(4-propylphenyl)azetidine-1-sulfonyl chloride is sourced from PubChem (CID 66352278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).