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

C15H10Cl3NO3S — CID 1097565

IUPACN-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]benzamide
SMILESO=C(NC(=C(Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H10Cl3NO3S/c16-11-6-8-12(9-7-11)23(21,22)15(13(17)18)19-14(20)10-4-2-1-3-5-10/h1-9H,(H,19,20)
InChIKeySSVRAODLVNXLIR-UHFFFAOYSA-N
MW390.68 g/mol
LogP4.15
Rot. Bonds4

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

N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]benzamide (PubChem CID 1097565) has the molecular formula C15H10Cl3NO3S and a molecular weight of 390.68 g/mol. Its IUPAC name is N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]benzamide.

Molecular Properties

Compound NameN-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]benzamide
PubChem CID1097565
Molecular FormulaC15H10Cl3NO3S
Molecular Weight390.68 g/mol
Exact Mass388.94
IUPAC NameN-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]benzamide
SMILESO=C(NC(=C(Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H10Cl3NO3S/c16-11-6-8-12(9-7-11)23(21,22)15(13(17)18)19-14(20)10-4-2-1-3-5-10/h1-9H,(H,19,20)
InChIKeySSVRAODLVNXLIR-UHFFFAOYSA-N
XLogP4.15
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.68
LogP ≤ 54.15
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]benzamide?
The IUPAC name of N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]benzamide (CID 1097565) is N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]benzamide.
What is the SMILES notation for N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]benzamide?
The canonical SMILES for N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]benzamide is O=C(NC(=C(Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]benzamide?
The InChIKey is SSVRAODLVNXLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3NO3S/c16-11-6-8-12(9-7-11)23(21,22)15(13(17)18)19-14(20)10-4-2-1-3-5-10/h1-9H,(H,19,20).
What are the key properties of N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]benzamide?
N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]benzamide has a molecular weight of 390.68 g/mol, XLogP of 4.15, 4 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]benzamide is sourced from PubChem (CID 1097565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).