N-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)sulfinylacetamide

C15H13Cl2NO3S — CID 1488223

IUPACN-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)sulfinylacetamide
SMILESCOc1ccc(S(=O)CC(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H13Cl2NO3S/c1-21-11-3-5-12(6-4-11)22(20)9-15(19)18-14-7-2-10(16)8-13(14)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyFMWCNCLITMZFKN-UHFFFAOYSA-N
MW358.25 g/mol
LogP3.75
Rot. Bonds5

About N-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)sulfinylacetamide

N-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)sulfinylacetamide (PubChem CID 1488223) has the molecular formula C15H13Cl2NO3S and a molecular weight of 358.25 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)sulfinylacetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)sulfinylacetamide
PubChem CID1488223
Molecular FormulaC15H13Cl2NO3S
Molecular Weight358.25 g/mol
Exact Mass357.00
IUPAC NameN-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)sulfinylacetamide
SMILESCOc1ccc(S(=O)CC(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H13Cl2NO3S/c1-21-11-3-5-12(6-4-11)22(20)9-15(19)18-14-7-2-10(16)8-13(14)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyFMWCNCLITMZFKN-UHFFFAOYSA-N
XLogP3.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide
CID 1483400
2-[(2-chlorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide
CID 1486373
2-[(2-chlorophenyl)sulfonyl]-N-(4-methoxyphenyl)acetamide
CID 1486374
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)sulfanyl]acetamide
CID 1486402
3-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide
CID 1331007
2-[(3-chlorophenyl)sulfonyl]-N-(4-methoxyphenyl)acetamide
CID 1486366
2-[(3,4-dichlorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide
CID 1486376
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)sulfinyl]acetamide
CID 1486413
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)sulfonyl]acetamide
CID 3770920
Acetamide, N-(2,4-dichlorophenyl)-2-(2-phenoxyethylthio)-
CID 621784
4-(methylthio)phenyl N-(4-chlorophenyl)carbamate
CID 303357
2-[(2,4-dichlorophenyl)sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 729773

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)sulfinylacetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)sulfinylacetamide (CID 1488223) is N-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)sulfinylacetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)sulfinylacetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)sulfinylacetamide is COc1ccc(S(=O)CC(=O)Nc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)sulfinylacetamide?
The InChIKey is FMWCNCLITMZFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO3S/c1-21-11-3-5-12(6-4-11)22(20)9-15(19)18-14-7-2-10(16)8-13(14)17/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of N-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)sulfinylacetamide?
N-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)sulfinylacetamide has a molecular weight of 358.25 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)sulfinylacetamide is sourced from PubChem (CID 1488223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).