2-[(3,4-dichlorophenyl)methylsulfanyl]-N-methylsulfonylbenzamide

C15H13Cl2NO3S2 — CID 54757905

IUPAC2-[(3,4-dichlorophenyl)methylsulfanyl]-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1ccccc1SCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2NO3S2/c1-23(20,21)18-15(19)11-4-2-3-5-14(11)22-9-10-6-7-12(16)13(17)8-10/h2-8H,9H2,1H3,(H,18,19)
InChIKeyZHFKUIBFWHMEBZ-UHFFFAOYSA-N
MW390.31 g/mol
LogP3.98
Rot. Bonds5

About 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-methylsulfonylbenzamide

2-[(3,4-dichlorophenyl)methylsulfanyl]-N-methylsulfonylbenzamide (PubChem CID 54757905) has the molecular formula C15H13Cl2NO3S2 and a molecular weight of 390.31 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methylsulfanyl]-N-methylsulfonylbenzamide
PubChem CID54757905
Molecular FormulaC15H13Cl2NO3S2
Molecular Weight390.31 g/mol
Exact Mass388.97
IUPAC Name2-[(3,4-dichlorophenyl)methylsulfanyl]-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1ccccc1SCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2NO3S2/c1-23(20,21)18-15(19)11-4-2-3-5-14(11)22-9-10-6-7-12(16)13(17)8-10/h2-8H,9H2,1H3,(H,18,19)
InChIKeyZHFKUIBFWHMEBZ-UHFFFAOYSA-N
XLogP3.98
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4-Dichlorobenzyl)sulfanyl]-N-(Methylsulfonyl)thiophene-2-Carboxamide
CID 54751676
2-Benzylsulfanyl-4-chloro-5-sulfamoylbenzamide
CID 155524582
4-Chloro-2-(2-phenylethylsulfanyl)-5-sulfamoylbenzamide
CID 155526221
2,4-dichloro-N-(4-methylsulfanylphenyl)sulfonylbenzamide
CID 11474329
3,4-dichloro-N-(4-chlorophenyl)sulfonylbenzamide
CID 11462674
N-(benzenesulfonyl)-3-[(3,4-dichlorophenyl)methylsulfanyl]thiophene-2-carboxamide
CID 54758002
4-chloro-N-[(4-fluorophenyl)methylsulfonyl]-3-methylsulfonylbenzamide
CID 53517406
4-[(3,4-dichlorophenyl)methylsulfanyl]-N-methylsulfonylthiophene-3-carboxamide
CID 155519601
4-(3,4-dichlorophenyl)-N-methylsulfonylbenzamide
CID 155558045
4-chloro-N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]benzamide
CID 2819821
4-chloro-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)benzamide
CID 12033916
4-chloro-N-(2-methylphenyl)sulfonylbenzamide
CID 13563724

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-methylsulfonylbenzamide?
The IUPAC name of 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-methylsulfonylbenzamide (CID 54757905) is 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-methylsulfonylbenzamide.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-methylsulfonylbenzamide?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-methylsulfonylbenzamide is CS(=O)(=O)NC(=O)c1ccccc1SCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-methylsulfonylbenzamide?
The InChIKey is ZHFKUIBFWHMEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO3S2/c1-23(20,21)18-15(19)11-4-2-3-5-14(11)22-9-10-6-7-12(16)13(17)8-10/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-methylsulfonylbenzamide?
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-methylsulfonylbenzamide has a molecular weight of 390.31 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-methylsulfonylbenzamide is sourced from PubChem (CID 54757905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).