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

C14H10F3NO2S — CID 107020507

IUPAC4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(S)cc1
InChIInChI=1S/C14H10F3NO2S/c15-14(16,17)20-11-5-3-10(4-6-11)18-13(19)9-1-7-12(21)8-2-9/h1-8,21H,(H,18,19)
InChIKeyJASDPPHPKRSQLR-UHFFFAOYSA-N
MW313.30 g/mol
LogP4.13
Rot. Bonds3

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

4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 107020507) has the molecular formula C14H10F3NO2S and a molecular weight of 313.30 g/mol. Its IUPAC name is 4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID107020507
Molecular FormulaC14H10F3NO2S
Molecular Weight313.30 g/mol
Exact Mass313.04
IUPAC Name4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(S)cc1
InChIInChI=1S/C14H10F3NO2S/c15-14(16,17)20-11-5-3-10(4-6-11)18-13(19)9-1-7-12(21)8-2-9/h1-8,21H,(H,18,19)
InChIKeyJASDPPHPKRSQLR-UHFFFAOYSA-N
XLogP4.13
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide
CID 7925236
4-methylsulfinyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 51191579
N-(4-phenyldiazenylphenyl)-4-(trifluoromethoxy)benzamide
CID 7927077
N-(3,4-dichlorophenyl)-4-(trifluoromethoxy)benzamide
CID 18267923
N-[4-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide
CID 30684530
4-(methylsulfanylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2526024
N-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide
CID 160971562
[4-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl] N,N-dimethylsulfamate
CID 3848312
N-(4-butan-2-ylphenyl)-4-(trifluoromethoxy)benzamide
CID 3323954
N-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide
CID 26522670

Frequently Asked Questions

What is the IUPAC name of 4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide (CID 107020507) is 4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(S)cc1.
What is the InChIKey of 4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is JASDPPHPKRSQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2S/c15-14(16,17)20-11-5-3-10(4-6-11)18-13(19)9-1-7-12(21)8-2-9/h1-8,21H,(H,18,19).
What are the key properties of 4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide?
4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 313.30 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 107020507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).