N-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide

C12H14ClNO3S — CID 7116274

IUPACN-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
SMILESCC(=O)N(c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C12H14ClNO3S/c1-9(15)14(11-4-2-10(13)3-5-11)12-6-7-18(16,17)8-12/h2-5,12H,6-8H2,1H3/t12-/m1/s1
InChIKeyWGZWRDWITKPZMN-GFCCVEGCSA-N
MW287.77 g/mol
LogP1.88
Rot. Bonds2

About N-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide

N-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 7116274) has the molecular formula C12H14ClNO3S and a molecular weight of 287.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
PubChem CID7116274
Molecular FormulaC12H14ClNO3S
Molecular Weight287.77 g/mol
Exact Mass287.04
IUPAC NameN-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
SMILESCC(=O)N(c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C12H14ClNO3S/c1-9(15)14(11-4-2-10(13)3-5-11)12-6-7-18(16,17)8-12/h2-5,12H,6-8H2,1H3/t12-/m1/s1
InChIKeyWGZWRDWITKPZMN-GFCCVEGCSA-N
XLogP1.88
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(1,1-dioxothiolan-3-yl)-N-(4-methylphenyl)benzamide
CID 21179672
N-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7116277
N-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 102566348
2-(4-chloro-N-(1,1-dioxothiolan-3-yl)anilino)acetic acid
CID 60834017
N-(3-chloro-4-fluorophenyl)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 102565875
2-[(4-chlorophenyl)methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 8540396
2-(4-chlorophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 7816188
2-(N-acetyl-4-chloroanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 113171522
N-(5-chloro-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 102565863
N-[(3R)-1,1-dioxothiolan-3-yl]-2,2,2-trifluoro-N-(4-methylphenyl)acetamide
CID 7116141
2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 51238233
N-tert-butyl-4-chloro-N-(1,1-dioxothiolan-3-yl)benzamide
CID 102566622

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide (CID 7116274) is N-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide is CC(=O)N(c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is WGZWRDWITKPZMN-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H14ClNO3S/c1-9(15)14(11-4-2-10(13)3-5-11)12-6-7-18(16,17)8-12/h2-5,12H,6-8H2,1H3/t12-/m1/s1.
What are the key properties of N-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
N-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 287.77 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 7116274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).