2-(3,4-dichlorophenyl)sulfinyl-N-(4-methoxyphenyl)acetamide

C15H13Cl2NO3S — CID 1486376

IUPAC2-(3,4-dichlorophenyl)sulfinyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CS(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H13Cl2NO3S/c1-21-11-4-2-10(3-5-11)18-15(19)9-22(20)12-6-7-13(16)14(17)8-12/h2-8H,9H2,1H3,(H,18,19)
InChIKeyITJATCWRJDPYTB-UHFFFAOYSA-N
MW358.25 g/mol
LogP3.75
Rot. Bonds5

About 2-(3,4-dichlorophenyl)sulfinyl-N-(4-methoxyphenyl)acetamide

2-(3,4-dichlorophenyl)sulfinyl-N-(4-methoxyphenyl)acetamide (PubChem CID 1486376) has the molecular formula C15H13Cl2NO3S and a molecular weight of 358.25 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)sulfinyl-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)sulfinyl-N-(4-methoxyphenyl)acetamide
PubChem CID1486376
Molecular FormulaC15H13Cl2NO3S
Molecular Weight358.25 g/mol
Exact Mass357.00
IUPAC Name2-(3,4-dichlorophenyl)sulfinyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CS(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H13Cl2NO3S/c1-21-11-4-2-10(3-5-11)18-15(19)9-22(20)12-6-7-13(16)14(17)8-12/h2-8H,9H2,1H3,(H,18,19)
InChIKeyITJATCWRJDPYTB-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-(4-methoxyphenyl)-2-(phenylsulfonyl)acetamide
CID 893006
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)sulfanyl]acetamide
CID 1486402
3-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide
CID 1331007
2-[(4-fluorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide
CID 1486368
4-(Acetylamino)phenyl 5-chloro-2-methoxybenzenesulfonate
CID 3126374
2-[(3-chlorophenyl)sulfonyl]-N-(4-methoxyphenyl)acetamide
CID 1486366
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)sulfinyl]acetamide
CID 1486413
N-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)sulfinyl]acetamide
CID 1488223
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)sulfonyl]acetamide
CID 3770920

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)sulfinyl-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)sulfinyl-N-(4-methoxyphenyl)acetamide (CID 1486376) is 2-(3,4-dichlorophenyl)sulfinyl-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)sulfinyl-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)sulfinyl-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CS(=O)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 2-(3,4-dichlorophenyl)sulfinyl-N-(4-methoxyphenyl)acetamide?
The InChIKey is ITJATCWRJDPYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO3S/c1-21-11-4-2-10(3-5-11)18-15(19)9-22(20)12-6-7-13(16)14(17)8-12/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 2-(3,4-dichlorophenyl)sulfinyl-N-(4-methoxyphenyl)acetamide?
2-(3,4-dichlorophenyl)sulfinyl-N-(4-methoxyphenyl)acetamide 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 2-(3,4-dichlorophenyl)sulfinyl-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 1486376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).