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

C10H8Cl3NO3S — CID 2311201

IUPACN-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]acetamide
SMILESCC(=O)NC(=C(Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H8Cl3NO3S/c1-6(15)14-10(9(12)13)18(16,17)8-4-2-7(11)3-5-8/h2-5H,1H3,(H,14,15)
InChIKeyLJLZZQAYXZSTQQ-UHFFFAOYSA-N
MW328.60 g/mol
LogP2.85
Rot. Bonds3

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

N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]acetamide (PubChem CID 2311201) has the molecular formula C10H8Cl3NO3S and a molecular weight of 328.60 g/mol. Its IUPAC name is N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]acetamide.

Molecular Properties

Compound NameN-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]acetamide
PubChem CID2311201
Molecular FormulaC10H8Cl3NO3S
Molecular Weight328.60 g/mol
Exact Mass326.93
IUPAC NameN-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]acetamide
SMILESCC(=O)NC(=C(Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H8Cl3NO3S/c1-6(15)14-10(9(12)13)18(16,17)8-4-2-7(11)3-5-8/h2-5H,1H3,(H,14,15)
InChIKeyLJLZZQAYXZSTQQ-UHFFFAOYSA-N
XLogP2.85
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.60
LogP ≤ 52.85
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-chlorophenyl)sulfonylethenyl]acetamide?
The IUPAC name of N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]acetamide (CID 2311201) is N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]acetamide.
What is the SMILES notation for N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]acetamide?
The canonical SMILES for N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]acetamide is CC(=O)NC(=C(Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]acetamide?
The InChIKey is LJLZZQAYXZSTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl3NO3S/c1-6(15)14-10(9(12)13)18(16,17)8-4-2-7(11)3-5-8/h2-5H,1H3,(H,14,15).
What are the key properties of N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]acetamide?
N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]acetamide has a molecular weight of 328.60 g/mol, XLogP of 2.85, 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-chlorophenyl)sulfonylethenyl]acetamide is sourced from PubChem (CID 2311201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).