4-chloro-3-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide

C11H11ClF3NO4S — CID 103730686

IUPAC4-chloro-3-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESCS(=O)(=O)c1cc(C(=O)NCC(O)C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H11ClF3NO4S/c1-21(19,20)8-4-6(2-3-7(8)12)10(18)16-5-9(17)11(13,14)15/h2-4,9,17H,5H2,1H3,(H,16,18)
InChIKeyOVPMVGAKNOCZGF-UHFFFAOYSA-N
MW345.73 g/mol
LogP1.40
Rot. Bonds4

About 4-chloro-3-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide

4-chloro-3-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (PubChem CID 103730686) has the molecular formula C11H11ClF3NO4S and a molecular weight of 345.73 g/mol. Its IUPAC name is 4-chloro-3-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
PubChem CID103730686
Molecular FormulaC11H11ClF3NO4S
Molecular Weight345.73 g/mol
Exact Mass345.00
IUPAC Name4-chloro-3-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESCS(=O)(=O)c1cc(C(=O)NCC(O)C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H11ClF3NO4S/c1-21(19,20)8-4-6(2-3-7(8)12)10(18)16-5-9(17)11(13,14)15/h2-4,9,17H,5H2,1H3,(H,16,18)
InChIKeyOVPMVGAKNOCZGF-UHFFFAOYSA-N
XLogP1.40
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.73
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The IUPAC name of 4-chloro-3-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (CID 103730686) is 4-chloro-3-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.
What is the SMILES notation for 4-chloro-3-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The canonical SMILES for 4-chloro-3-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is CS(=O)(=O)c1cc(C(=O)NCC(O)C(F)(F)F)ccc1Cl.
What is the InChIKey of 4-chloro-3-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The InChIKey is OVPMVGAKNOCZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO4S/c1-21(19,20)8-4-6(2-3-7(8)12)10(18)16-5-9(17)11(13,14)15/h2-4,9,17H,5H2,1H3,(H,16,18).
What are the key properties of 4-chloro-3-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
4-chloro-3-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide has a molecular weight of 345.73 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is sourced from PubChem (CID 103730686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).