2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)acetamide

C12H14ClNO3S — CID 6459138

IUPAC2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C12H14ClNO3S/c13-10-3-1-9(2-4-10)7-12(15)14-11-5-6-18(16,17)8-11/h1-4,11H,5-8H2,(H,14,15)
InChIKeyBMEUKMAHPWJQSR-UHFFFAOYSA-N
MW287.77 g/mol
LogP1.19
Rot. Bonds3

About 2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)acetamide

2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 6459138) has the molecular formula C12H14ClNO3S and a molecular weight of 287.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID6459138
Molecular FormulaC12H14ClNO3S
Molecular Weight287.77 g/mol
Exact Mass287.04
IUPAC Name2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C12H14ClNO3S/c13-10-3-1-9(2-4-10)7-12(15)14-11-5-6-18(16,17)8-11/h1-4,11H,5-8H2,(H,14,15)
InChIKeyBMEUKMAHPWJQSR-UHFFFAOYSA-N
XLogP1.19
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)acetamide (CID 6459138) is 2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)acetamide is O=C(Cc1ccc(Cl)cc1)NC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is BMEUKMAHPWJQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3S/c13-10-3-1-9(2-4-10)7-12(15)14-11-5-6-18(16,17)8-11/h1-4,11H,5-8H2,(H,14,15).
What are the key properties of 2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)acetamide?
2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 287.77 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 6459138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).