4-methylsulfinyl-N-[4-(trifluoromethoxy)phenyl]benzamide

C15H12F3NO3S — CID 51191579

IUPAC4-methylsulfinyl-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCS(=O)c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C15H12F3NO3S/c1-23(21)13-8-2-10(3-9-13)14(20)19-11-4-6-12(7-5-11)22-15(16,17)18/h2-9H,1H3,(H,19,20)
InChIKeyGLXDWBSZDGFSNP-UHFFFAOYSA-N
MW343.33 g/mol
LogP3.57
Rot. Bonds4

About 4-methylsulfinyl-N-[4-(trifluoromethoxy)phenyl]benzamide

4-methylsulfinyl-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 51191579) has the molecular formula C15H12F3NO3S and a molecular weight of 343.33 g/mol. Its IUPAC name is 4-methylsulfinyl-N-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-methylsulfinyl-N-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID51191579
Molecular FormulaC15H12F3NO3S
Molecular Weight343.33 g/mol
Exact Mass343.05
IUPAC Name4-methylsulfinyl-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCS(=O)c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C15H12F3NO3S/c1-23(21)13-8-2-10(3-9-13)14(20)19-11-4-6-12(7-5-11)22-15(16,17)18/h2-9H,1H3,(H,19,20)
InChIKeyGLXDWBSZDGFSNP-UHFFFAOYSA-N
XLogP3.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-4-methylsulfinylbenzamide
CID 51191498
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 107020507
N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide
CID 7925236
(4-benzamidophenyl) 4-methylsulfinylbenzoate
CID 51182394
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
N-(3,4-dichlorophenyl)-4-(trifluoromethoxy)benzamide
CID 18267923
4-(methylsulfanylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2526024
[4-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl] N,N-dimethylsulfamate
CID 3848312
N-(4-butan-2-ylphenyl)-4-(trifluoromethoxy)benzamide
CID 3323954
N-[4-(3-fluorophenoxy)phenyl]-4-methylsulfinylbenzamide
CID 55978837
N-(4-phenyldiazenylphenyl)-4-(trifluoromethoxy)benzamide
CID 7927077

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfinyl-N-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 4-methylsulfinyl-N-[4-(trifluoromethoxy)phenyl]benzamide (CID 51191579) is 4-methylsulfinyl-N-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 4-methylsulfinyl-N-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 4-methylsulfinyl-N-[4-(trifluoromethoxy)phenyl]benzamide is CS(=O)c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 4-methylsulfinyl-N-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is GLXDWBSZDGFSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO3S/c1-23(21)13-8-2-10(3-9-13)14(20)19-11-4-6-12(7-5-11)22-15(16,17)18/h2-9H,1H3,(H,19,20).
What are the key properties of 4-methylsulfinyl-N-[4-(trifluoromethoxy)phenyl]benzamide?
4-methylsulfinyl-N-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 343.33 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfinyl-N-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 51191579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).