3-chloro-N-[5-cyano-2-(2,6-dichlorophenyl)sulfanylphenyl]benzamide

C20H11Cl3N2OS — CID 2767416

IUPAC3-chloro-N-[5-cyano-2-(2,6-dichlorophenyl)sulfanylphenyl]benzamide
SMILESN#Cc1ccc(Sc2c(Cl)cccc2Cl)c(NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C20H11Cl3N2OS/c21-14-4-1-3-13(10-14)20(26)25-17-9-12(11-24)7-8-18(17)27-19-15(22)5-2-6-16(19)23/h1-10H,(H,25,26)
InChIKeyWCASRPXLXNVLPU-UHFFFAOYSA-N
MW433.75 g/mol
LogP6.92
Rot. Bonds4

About 3-chloro-N-[5-cyano-2-(2,6-dichlorophenyl)sulfanylphenyl]benzamide

3-chloro-N-[5-cyano-2-(2,6-dichlorophenyl)sulfanylphenyl]benzamide (PubChem CID 2767416) has the molecular formula C20H11Cl3N2OS and a molecular weight of 433.75 g/mol. Its IUPAC name is 3-chloro-N-[5-cyano-2-(2,6-dichlorophenyl)sulfanylphenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[5-cyano-2-(2,6-dichlorophenyl)sulfanylphenyl]benzamide
PubChem CID2767416
Molecular FormulaC20H11Cl3N2OS
Molecular Weight433.75 g/mol
Exact Mass431.97
IUPAC Name3-chloro-N-[5-cyano-2-(2,6-dichlorophenyl)sulfanylphenyl]benzamide
SMILESN#Cc1ccc(Sc2c(Cl)cccc2Cl)c(NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C20H11Cl3N2OS/c21-14-4-1-3-13(10-14)20(26)25-17-9-12(11-24)7-8-18(17)27-19-15(22)5-2-6-16(19)23/h1-10H,(H,25,26)
InChIKeyWCASRPXLXNVLPU-UHFFFAOYSA-N
XLogP6.92
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.75
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-cyano-2-(2,6-dichlorophenyl)sulfanylphenyl]benzamide?
The IUPAC name of 3-chloro-N-[5-cyano-2-(2,6-dichlorophenyl)sulfanylphenyl]benzamide (CID 2767416) is 3-chloro-N-[5-cyano-2-(2,6-dichlorophenyl)sulfanylphenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[5-cyano-2-(2,6-dichlorophenyl)sulfanylphenyl]benzamide?
The canonical SMILES for 3-chloro-N-[5-cyano-2-(2,6-dichlorophenyl)sulfanylphenyl]benzamide is N#Cc1ccc(Sc2c(Cl)cccc2Cl)c(NC(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-[5-cyano-2-(2,6-dichlorophenyl)sulfanylphenyl]benzamide?
The InChIKey is WCASRPXLXNVLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl3N2OS/c21-14-4-1-3-13(10-14)20(26)25-17-9-12(11-24)7-8-18(17)27-19-15(22)5-2-6-16(19)23/h1-10H,(H,25,26).
What are the key properties of 3-chloro-N-[5-cyano-2-(2,6-dichlorophenyl)sulfanylphenyl]benzamide?
3-chloro-N-[5-cyano-2-(2,6-dichlorophenyl)sulfanylphenyl]benzamide has a molecular weight of 433.75 g/mol, XLogP of 6.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-cyano-2-(2,6-dichlorophenyl)sulfanylphenyl]benzamide is sourced from PubChem (CID 2767416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).