N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]acetamide

C11H11Cl2NO3S — CID 786384

IUPACN-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]acetamide
SMILESCC(=O)NC(=C(Cl)Cl)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H11Cl2NO3S/c1-7-3-5-9(6-4-7)18(16,17)11(10(12)13)14-8(2)15/h3-6H,1-2H3,(H,14,15)
InChIKeyYRKXBIKDUWMGSO-UHFFFAOYSA-N
MW308.19 g/mol
LogP2.51
Rot. Bonds3

About N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]acetamide

N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]acetamide (PubChem CID 786384) has the molecular formula C11H11Cl2NO3S and a molecular weight of 308.19 g/mol. Its IUPAC name is N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]acetamide.

Molecular Properties

Compound NameN-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]acetamide
PubChem CID786384
Molecular FormulaC11H11Cl2NO3S
Molecular Weight308.19 g/mol
Exact Mass306.98
IUPAC NameN-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]acetamide
SMILESCC(=O)NC(=C(Cl)Cl)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H11Cl2NO3S/c1-7-3-5-9(6-4-7)18(16,17)11(10(12)13)14-8(2)15/h3-6H,1-2H3,(H,14,15)
InChIKeyYRKXBIKDUWMGSO-UHFFFAOYSA-N
XLogP2.51
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]acetamide?
The IUPAC name of N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]acetamide (CID 786384) is N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]acetamide.
What is the SMILES notation for N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]acetamide?
The canonical SMILES for N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]acetamide is CC(=O)NC(=C(Cl)Cl)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]acetamide?
The InChIKey is YRKXBIKDUWMGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO3S/c1-7-3-5-9(6-4-7)18(16,17)11(10(12)13)14-8(2)15/h3-6H,1-2H3,(H,14,15).
What are the key properties of N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]acetamide?
N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]acetamide has a molecular weight of 308.19 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]acetamide is sourced from PubChem (CID 786384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).