4-(3,4-dichlorophenyl)-N-methylsulfonylbenzamide

C14H11Cl2NO3S — CID 155558045

IUPAC4-(3,4-dichlorophenyl)-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H11Cl2NO3S/c1-21(19,20)17-14(18)10-4-2-9(3-5-10)11-6-7-12(15)13(16)8-11/h2-8H,1H3,(H,17,18)
InChIKeyOANGKKPLBYQNSA-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.35
Rot. Bonds3

About 4-(3,4-dichlorophenyl)-N-methylsulfonylbenzamide

4-(3,4-dichlorophenyl)-N-methylsulfonylbenzamide (PubChem CID 155558045) has the molecular formula C14H11Cl2NO3S and a molecular weight of 344.22 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-N-methylsulfonylbenzamide
PubChem CID155558045
Molecular FormulaC14H11Cl2NO3S
Molecular Weight344.22 g/mol
Exact Mass342.98
IUPAC Name4-(3,4-dichlorophenyl)-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H11Cl2NO3S/c1-21(19,20)17-14(18)10-4-2-9(3-5-10)11-6-7-12(15)13(16)8-11/h2-8H,1H3,(H,17,18)
InChIKeyOANGKKPLBYQNSA-UHFFFAOYSA-N
XLogP3.35
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-N-methylsulfonylbenzamide?
The IUPAC name of 4-(3,4-dichlorophenyl)-N-methylsulfonylbenzamide (CID 155558045) is 4-(3,4-dichlorophenyl)-N-methylsulfonylbenzamide.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-N-methylsulfonylbenzamide?
The canonical SMILES for 4-(3,4-dichlorophenyl)-N-methylsulfonylbenzamide is CS(=O)(=O)NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-N-methylsulfonylbenzamide?
The InChIKey is OANGKKPLBYQNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3S/c1-21(19,20)17-14(18)10-4-2-9(3-5-10)11-6-7-12(15)13(16)8-11/h2-8H,1H3,(H,17,18).
What are the key properties of 4-(3,4-dichlorophenyl)-N-methylsulfonylbenzamide?
4-(3,4-dichlorophenyl)-N-methylsulfonylbenzamide has a molecular weight of 344.22 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-N-methylsulfonylbenzamide is sourced from PubChem (CID 155558045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).