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2,6-dichloro-N-(trifluoromethylsulfonyl)benzamide

C8H4Cl2F3NO3S — CID 134087949

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2,6-dichloro-N-(trifluoromethylsulfonyl)benzamide
SMILESO=C(NS(=O)(=O)C(F)(F)F)c1c(Cl)cccc1Cl
InChIInChI=1S/C8H4Cl2F3NO3S/c9-4-2-1-3-5(10)6(4)7(15)14-18(16,17)8(11,12)13/h1-3H,(H,14,15)
InChIKeyMSKQPQDJRWSSAL-UHFFFAOYSA-N
MW322.09 g/mol
LogP2.57
Rot. Bonds2

About 2,6-dichloro-N-(trifluoromethylsulfonyl)benzamide

2,6-dichloro-N-(trifluoromethylsulfonyl)benzamide (PubChem CID 134087949) has the molecular formula C8H4Cl2F3NO3S and a molecular weight of 322.09 g/mol. Its IUPAC name is 2,6-dichloro-N-(trifluoromethylsulfonyl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-(trifluoromethylsulfonyl)benzamide
PubChem CID134087949
Molecular FormulaC8H4Cl2F3NO3S
Molecular Weight322.09 g/mol
Exact Mass320.92
IUPAC Name2,6-dichloro-N-(trifluoromethylsulfonyl)benzamide
SMILESO=C(NS(=O)(=O)C(F)(F)F)c1c(Cl)cccc1Cl
InChIInChI=1S/C8H4Cl2F3NO3S/c9-4-2-1-3-5(10)6(4)7(15)14-18(16,17)8(11,12)13/h1-3H,(H,14,15)
InChIKeyMSKQPQDJRWSSAL-UHFFFAOYSA-N
XLogP2.57
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.09
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(trifluoromethylsulfonyl)benzamide?
The IUPAC name of 2,6-dichloro-N-(trifluoromethylsulfonyl)benzamide (CID 134087949) is 2,6-dichloro-N-(trifluoromethylsulfonyl)benzamide.
What is the SMILES notation for 2,6-dichloro-N-(trifluoromethylsulfonyl)benzamide?
The canonical SMILES for 2,6-dichloro-N-(trifluoromethylsulfonyl)benzamide is O=C(NS(=O)(=O)C(F)(F)F)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-(trifluoromethylsulfonyl)benzamide?
The InChIKey is MSKQPQDJRWSSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2F3NO3S/c9-4-2-1-3-5(10)6(4)7(15)14-18(16,17)8(11,12)13/h1-3H,(H,14,15).
What are the key properties of 2,6-dichloro-N-(trifluoromethylsulfonyl)benzamide?
2,6-dichloro-N-(trifluoromethylsulfonyl)benzamide has a molecular weight of 322.09 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(trifluoromethylsulfonyl)benzamide is sourced from PubChem (CID 134087949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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