N-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfinylacetamide

C15H14ClNO3S — CID 1486413

IUPACN-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfinylacetamide
SMILESCOc1ccc(S(=O)CC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C15H14ClNO3S/c1-20-11-6-8-12(9-7-11)21(19)10-15(18)17-14-5-3-2-4-13(14)16/h2-9H,10H2,1H3,(H,17,18)
InChIKeyPDKUTMJEVJFYFG-UHFFFAOYSA-N
MW323.80 g/mol
LogP3.09
Rot. Bonds5

About N-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfinylacetamide

N-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfinylacetamide (PubChem CID 1486413) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfinylacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfinylacetamide
PubChem CID1486413
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC NameN-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfinylacetamide
SMILESCOc1ccc(S(=O)CC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C15H14ClNO3S/c1-20-11-6-8-12(9-7-11)21(19)10-15(18)17-14-5-3-2-4-13(14)16/h2-9H,10H2,1H3,(H,17,18)
InChIKeyPDKUTMJEVJFYFG-UHFFFAOYSA-N
XLogP3.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfinylacetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfinylacetamide (CID 1486413) is N-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfinylacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfinylacetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfinylacetamide is COc1ccc(S(=O)CC(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of N-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfinylacetamide?
The InChIKey is PDKUTMJEVJFYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c1-20-11-6-8-12(9-7-11)21(19)10-15(18)17-14-5-3-2-4-13(14)16/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of N-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfinylacetamide?
N-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfinylacetamide has a molecular weight of 323.80 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfinylacetamide is sourced from PubChem (CID 1486413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).