4-methyl-N-(trifluoromethylsulfanyl)benzamide

C9H8F3NOS — CID 150038589

IUPAC4-methyl-N-(trifluoromethylsulfanyl)benzamide
SMILESCc1ccc(C(=O)NSC(F)(F)F)cc1
InChIInChI=1S/C9H8F3NOS/c1-6-2-4-7(5-3-6)8(14)13-15-9(10,11)12/h2-5H,1H3,(H,13,14)
InChIKeyDIUHIARNILPIOC-UHFFFAOYSA-N
MW235.23 g/mol
LogP2.89
Rot. Bonds2

About 4-methyl-N-(trifluoromethylsulfanyl)benzamide

4-methyl-N-(trifluoromethylsulfanyl)benzamide (PubChem CID 150038589) has the molecular formula C9H8F3NOS and a molecular weight of 235.23 g/mol. Its IUPAC name is 4-methyl-N-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(trifluoromethylsulfanyl)benzamide
PubChem CID150038589
Molecular FormulaC9H8F3NOS
Molecular Weight235.23 g/mol
Exact Mass235.03
IUPAC Name4-methyl-N-(trifluoromethylsulfanyl)benzamide
SMILESCc1ccc(C(=O)NSC(F)(F)F)cc1
InChIInChI=1S/C9H8F3NOS/c1-6-2-4-7(5-3-6)8(14)13-15-9(10,11)12/h2-5H,1H3,(H,13,14)
InChIKeyDIUHIARNILPIOC-UHFFFAOYSA-N
XLogP2.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(trifluoromethylsulfanyl)benzamide
CID 154450677
4-methyl-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide
CID 9086775
ethane;4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 145192130
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
(4-methylbenzoyl)carbamic acid
CID 89120559
3,3,3-trifluoro-2-methyl-2-[(4-methylbenzoyl)amino]propanoic acid
CID 79795388
methyl 3,3,3-trifluoro-2-hydroxy-2-[(4-methylbenzoyl)amino]propanoate
CID 2729370
ethane;4-methylbenzohydrazide
CID 143952809
N-tert-butyl-2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoacetamide
CID 3108505
4-methyl-N-[(4-methylbenzoyl)carbamothioyl]benzamide
CID 22071974
2-chloro-2,2-difluoro-1-(4-methylphenyl)ethanone
CID 13240543
N-(1-aminoethyl)-4-methylbenzamide;hydrochloride
CID 18770702

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of 4-methyl-N-(trifluoromethylsulfanyl)benzamide (CID 150038589) is 4-methyl-N-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for 4-methyl-N-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for 4-methyl-N-(trifluoromethylsulfanyl)benzamide is Cc1ccc(C(=O)NSC(F)(F)F)cc1.
What is the InChIKey of 4-methyl-N-(trifluoromethylsulfanyl)benzamide?
The InChIKey is DIUHIARNILPIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NOS/c1-6-2-4-7(5-3-6)8(14)13-15-9(10,11)12/h2-5H,1H3,(H,13,14).
What are the key properties of 4-methyl-N-(trifluoromethylsulfanyl)benzamide?
4-methyl-N-(trifluoromethylsulfanyl)benzamide has a molecular weight of 235.23 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 150038589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).