2-methyl-5-sulfanyl-N-(2,4,5-trifluorophenyl)benzamide

C14H10F3NOS — CID 107028630

IUPAC2-methyl-5-sulfanyl-N-(2,4,5-trifluorophenyl)benzamide
SMILESCc1ccc(S)cc1C(=O)Nc1cc(F)c(F)cc1F
InChIInChI=1S/C14H10F3NOS/c1-7-2-3-8(20)4-9(7)14(19)18-13-6-11(16)10(15)5-12(13)17/h2-6,20H,1H3,(H,18,19)
InChIKeyVLZWAPDJEIZQAP-UHFFFAOYSA-N
MW297.30 g/mol
LogP3.95
Rot. Bonds2

About 2-methyl-5-sulfanyl-N-(2,4,5-trifluorophenyl)benzamide

2-methyl-5-sulfanyl-N-(2,4,5-trifluorophenyl)benzamide (PubChem CID 107028630) has the molecular formula C14H10F3NOS and a molecular weight of 297.30 g/mol. Its IUPAC name is 2-methyl-5-sulfanyl-N-(2,4,5-trifluorophenyl)benzamide.

Molecular Properties

Compound Name2-methyl-5-sulfanyl-N-(2,4,5-trifluorophenyl)benzamide
PubChem CID107028630
Molecular FormulaC14H10F3NOS
Molecular Weight297.30 g/mol
Exact Mass297.04
IUPAC Name2-methyl-5-sulfanyl-N-(2,4,5-trifluorophenyl)benzamide
SMILESCc1ccc(S)cc1C(=O)Nc1cc(F)c(F)cc1F
InChIInChI=1S/C14H10F3NOS/c1-7-2-3-8(20)4-9(7)14(19)18-13-6-11(16)10(15)5-12(13)17/h2-6,20H,1H3,(H,18,19)
InChIKeyVLZWAPDJEIZQAP-UHFFFAOYSA-N
XLogP3.95
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoro-4-methylphenyl)-2-methyl-5-sulfanylbenzamide
CID 107021979
2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-sulfanylbenzamide
CID 107037172
N-(4-iodophenyl)-2-methyl-5-sulfanylbenzamide
CID 107022114
4-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)benzamide
CID 103863779
N-(2,5-dibromophenyl)-2-methyl-5-sulfanylbenzamide
CID 107025028
N-(2,4-dimethylphenyl)-2-fluoro-5-sulfanylbenzamide
CID 107020951
N-(4-bromo-2,5-difluorophenyl)-5-chloro-2-methylbenzamide
CID 103842699
2-fluoro-N-(4-fluoro-2-methylphenyl)-5-sulfanylbenzamide
CID 107021333
N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluoro-5-sulfanylbenzamide
CID 107590334
5-methyl-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide
CID 62809031
4-amino-6-methyl-N-(2,4,5-trifluorophenyl)pyridine-3-carboxamide
CID 81240870
N-[(2-fluorophenyl)methyl]-2-methyl-5-sulfanylbenzamide
CID 107021173

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-sulfanyl-N-(2,4,5-trifluorophenyl)benzamide?
The IUPAC name of 2-methyl-5-sulfanyl-N-(2,4,5-trifluorophenyl)benzamide (CID 107028630) is 2-methyl-5-sulfanyl-N-(2,4,5-trifluorophenyl)benzamide.
What is the SMILES notation for 2-methyl-5-sulfanyl-N-(2,4,5-trifluorophenyl)benzamide?
The canonical SMILES for 2-methyl-5-sulfanyl-N-(2,4,5-trifluorophenyl)benzamide is Cc1ccc(S)cc1C(=O)Nc1cc(F)c(F)cc1F.
What is the InChIKey of 2-methyl-5-sulfanyl-N-(2,4,5-trifluorophenyl)benzamide?
The InChIKey is VLZWAPDJEIZQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NOS/c1-7-2-3-8(20)4-9(7)14(19)18-13-6-11(16)10(15)5-12(13)17/h2-6,20H,1H3,(H,18,19).
What are the key properties of 2-methyl-5-sulfanyl-N-(2,4,5-trifluorophenyl)benzamide?
2-methyl-5-sulfanyl-N-(2,4,5-trifluorophenyl)benzamide has a molecular weight of 297.30 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-sulfanyl-N-(2,4,5-trifluorophenyl)benzamide is sourced from PubChem (CID 107028630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).