2-(2,5-dichlorophenyl)sulfanyl-N,N-dimethylbenzamide

C15H13Cl2NOS — CID 826733

IUPAC2-(2,5-dichlorophenyl)sulfanyl-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13Cl2NOS/c1-18(2)15(19)11-5-3-4-6-13(11)20-14-9-10(16)7-8-12(14)17/h3-9H,1-2H3
InChIKeySWRGUCHXTIJVLZ-UHFFFAOYSA-N
MW326.25 g/mol
LogP4.85
Rot. Bonds3

About 2-(2,5-dichlorophenyl)sulfanyl-N,N-dimethylbenzamide

2-(2,5-dichlorophenyl)sulfanyl-N,N-dimethylbenzamide (PubChem CID 826733) has the molecular formula C15H13Cl2NOS and a molecular weight of 326.25 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-N,N-dimethylbenzamide
PubChem CID826733
Molecular FormulaC15H13Cl2NOS
Molecular Weight326.25 g/mol
Exact Mass325.01
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13Cl2NOS/c1-18(2)15(19)11-5-3-4-6-13(11)20-14-9-10(16)7-8-12(14)17/h3-9H,1-2H3
InChIKeySWRGUCHXTIJVLZ-UHFFFAOYSA-N
XLogP4.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N,N-dimethylbenzamide?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N,N-dimethylbenzamide (CID 826733) is 2-(2,5-dichlorophenyl)sulfanyl-N,N-dimethylbenzamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-N,N-dimethylbenzamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-N,N-dimethylbenzamide is CN(C)C(=O)c1ccccc1Sc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-N,N-dimethylbenzamide?
The InChIKey is SWRGUCHXTIJVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NOS/c1-18(2)15(19)11-5-3-4-6-13(11)20-14-9-10(16)7-8-12(14)17/h3-9H,1-2H3.
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-N,N-dimethylbenzamide?
2-(2,5-dichlorophenyl)sulfanyl-N,N-dimethylbenzamide has a molecular weight of 326.25 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-N,N-dimethylbenzamide is sourced from PubChem (CID 826733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).