2-methylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide

C16H14F3NO3S2 — CID 43043214

IUPAC2-methylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)Nc1ccccc1SCC(F)(F)F
InChIInChI=1S/C16H14F3NO3S2/c1-25(22,23)14-9-5-2-6-11(14)15(21)20-12-7-3-4-8-13(12)24-10-16(17,18)19/h2-9H,10H2,1H3,(H,20,21)
InChIKeyNBCTXDBOKZWNHC-UHFFFAOYSA-N
MW389.42 g/mol
LogP4.00
Rot. Bonds5

About 2-methylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide

2-methylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide (PubChem CID 43043214) has the molecular formula C16H14F3NO3S2 and a molecular weight of 389.42 g/mol. Its IUPAC name is 2-methylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
PubChem CID43043214
Molecular FormulaC16H14F3NO3S2
Molecular Weight389.42 g/mol
Exact Mass389.04
IUPAC Name2-methylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)Nc1ccccc1SCC(F)(F)F
InChIInChI=1S/C16H14F3NO3S2/c1-25(22,23)14-9-5-2-6-11(14)15(21)20-12-7-3-4-8-13(12)24-10-16(17,18)19/h2-9H,10H2,1H3,(H,20,21)
InChIKeyNBCTXDBOKZWNHC-UHFFFAOYSA-N
XLogP4.00
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-difluoro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 43041819
4-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 16623224
(2S)-2-amino-3,3-dimethyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide
CID 61180010
2-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 43167988
N-(2-acetylphenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide
CID 46538000
4-hydroxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pentanamide
CID 79192003
(2S)-2-amino-3-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide
CID 61179824
2-methylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
CID 99841149
methyl 2-[[2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetyl]amino]benzoate
CID 43048401
2-chloro-5-nitro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 43043195
2-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]sulfamoyl]acetic acid
CID 43361756
2,2,2-trifluoroethyl N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]carbamate
CID 65173849

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide?
The IUPAC name of 2-methylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide (CID 43043214) is 2-methylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide.
What is the SMILES notation for 2-methylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide?
The canonical SMILES for 2-methylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide is CS(=O)(=O)c1ccccc1C(=O)Nc1ccccc1SCC(F)(F)F.
What is the InChIKey of 2-methylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide?
The InChIKey is NBCTXDBOKZWNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO3S2/c1-25(22,23)14-9-5-2-6-11(14)15(21)20-12-7-3-4-8-13(12)24-10-16(17,18)19/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of 2-methylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide?
2-methylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide has a molecular weight of 389.42 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide is sourced from PubChem (CID 43043214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).