N-(3-methylsulfanylphenyl)-4-(trifluoromethyl)benzamide

C15H12F3NOS — CID 8003067

IUPACN-(3-methylsulfanylphenyl)-4-(trifluoromethyl)benzamide
SMILESCSc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H12F3NOS/c1-21-13-4-2-3-12(9-13)19-14(20)10-5-7-11(8-6-10)15(16,17)18/h2-9H,1H3,(H,19,20)
InChIKeyFWNIUZKDWMMGIZ-UHFFFAOYSA-N
MW311.33 g/mol
LogP4.68
Rot. Bonds3

About N-(3-methylsulfanylphenyl)-4-(trifluoromethyl)benzamide

N-(3-methylsulfanylphenyl)-4-(trifluoromethyl)benzamide (PubChem CID 8003067) has the molecular formula C15H12F3NOS and a molecular weight of 311.33 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-4-(trifluoromethyl)benzamide
PubChem CID8003067
Molecular FormulaC15H12F3NOS
Molecular Weight311.33 g/mol
Exact Mass311.06
IUPAC NameN-(3-methylsulfanylphenyl)-4-(trifluoromethyl)benzamide
SMILESCSc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H12F3NOS/c1-21-13-4-2-3-12(9-13)19-14(20)10-5-7-11(8-6-10)15(16,17)18/h2-9H,1H3,(H,19,20)
InChIKeyFWNIUZKDWMMGIZ-UHFFFAOYSA-N
XLogP4.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylsulfanylphenyl)-3-(trifluoromethyl)benzamide
CID 2665623
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
4-(methylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 62185090
N-(3-acetylphenyl)-4-(trifluoromethyl)benzamide
CID 7770720
4-cyano-N-(3-methylsulfanylphenyl)benzamide
CID 2665655
N-(3-methylsulfanylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467642
N-(3-methylsulfanylphenyl)-4-pyrrol-1-ylbenzamide
CID 24536258
3-[(4-methylsulfanylbenzoyl)amino]benzoic acid
CID 43238382
3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride
CID 23150017
N-(3-methylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 8761868
3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 9068240
3-hydroxy-4-iodo-N-(3-methylsulfanylphenyl)benzamide
CID 104627461

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-4-(trifluoromethyl)benzamide (CID 8003067) is N-(3-methylsulfanylphenyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-4-(trifluoromethyl)benzamide is CSc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-4-(trifluoromethyl)benzamide?
The InChIKey is FWNIUZKDWMMGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NOS/c1-21-13-4-2-3-12(9-13)19-14(20)10-5-7-11(8-6-10)15(16,17)18/h2-9H,1H3,(H,19,20).
What are the key properties of N-(3-methylsulfanylphenyl)-4-(trifluoromethyl)benzamide?
N-(3-methylsulfanylphenyl)-4-(trifluoromethyl)benzamide has a molecular weight of 311.33 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 8003067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).