5-chloro-2-(pentafluoro-λ6-sulfanyl)benzamide

C7H5ClF5NOS — CID 66523568

IUPAC5-chloro-2-(pentafluoro-λ6-sulfanyl)benzamide
SMILESNC(=O)c1cc(Cl)ccc1S(F)(F)(F)(F)F
InChIInChI=1S/C7H5ClF5NOS/c8-4-1-2-6(5(3-4)7(14)15)16(9,10,11,12)13/h1-3H,(H2,14,15)
InChIKeyAEYOQDOYHYIUJE-UHFFFAOYSA-N
MW281.63 g/mol
LogP4.10
Rot. Bonds2

About 5-chloro-2-(pentafluoro-λ6-sulfanyl)benzamide

5-chloro-2-(pentafluoro-λ6-sulfanyl)benzamide (PubChem CID 66523568) has the molecular formula C7H5ClF5NOS and a molecular weight of 281.63 g/mol. Its IUPAC name is 5-chloro-2-(pentafluoro-λ6-sulfanyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-(pentafluoro-λ6-sulfanyl)benzamide
PubChem CID66523568
Molecular FormulaC7H5ClF5NOS
Molecular Weight281.63 g/mol
Exact Mass280.97
IUPAC Name5-chloro-2-(pentafluoro-λ6-sulfanyl)benzamide
SMILESNC(=O)c1cc(Cl)ccc1S(F)(F)(F)(F)F
InChIInChI=1S/C7H5ClF5NOS/c8-4-1-2-6(5(3-4)7(14)15)16(9,10,11,12)13/h1-3H,(H2,14,15)
InChIKeyAEYOQDOYHYIUJE-UHFFFAOYSA-N
XLogP4.10
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.63
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(pentafluoro-λ6-sulfanyl)benzamide?
The IUPAC name of 5-chloro-2-(pentafluoro-λ6-sulfanyl)benzamide (CID 66523568) is 5-chloro-2-(pentafluoro-λ6-sulfanyl)benzamide.
What is the SMILES notation for 5-chloro-2-(pentafluoro-λ6-sulfanyl)benzamide?
The canonical SMILES for 5-chloro-2-(pentafluoro-λ6-sulfanyl)benzamide is NC(=O)c1cc(Cl)ccc1S(F)(F)(F)(F)F.
What is the InChIKey of 5-chloro-2-(pentafluoro-λ6-sulfanyl)benzamide?
The InChIKey is AEYOQDOYHYIUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF5NOS/c8-4-1-2-6(5(3-4)7(14)15)16(9,10,11,12)13/h1-3H,(H2,14,15).
What are the key properties of 5-chloro-2-(pentafluoro-λ6-sulfanyl)benzamide?
5-chloro-2-(pentafluoro-λ6-sulfanyl)benzamide has a molecular weight of 281.63 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(pentafluoro-λ6-sulfanyl)benzamide is sourced from PubChem (CID 66523568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).