2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(difluoromethylsulfanyl)phenyl]benzamide

C21H16F4N2OS2 — CID 21179535

IUPAC2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(difluoromethylsulfanyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1SC(F)F)c1ccccc1Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C21H16F4N2OS2/c22-20(23)29-14-11-9-13(10-12-14)26-16-6-2-1-5-15(16)19(28)27-17-7-3-4-8-18(17)30-21(24)25/h1-12,20-21,26H,(H,27,28)
InChIKeyMCYWSSCJYQEPRU-UHFFFAOYSA-N
MW452.50 g/mol
LogP7.31
Rot. Bonds8

About 2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(difluoromethylsulfanyl)phenyl]benzamide

2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(difluoromethylsulfanyl)phenyl]benzamide (PubChem CID 21179535) has the molecular formula C21H16F4N2OS2 and a molecular weight of 452.50 g/mol. Its IUPAC name is 2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(difluoromethylsulfanyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(difluoromethylsulfanyl)phenyl]benzamide
PubChem CID21179535
Molecular FormulaC21H16F4N2OS2
Molecular Weight452.50 g/mol
Exact Mass452.06
IUPAC Name2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(difluoromethylsulfanyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1SC(F)F)c1ccccc1Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C21H16F4N2OS2/c22-20(23)29-14-11-9-13(10-12-14)26-16-6-2-1-5-15(16)19(28)27-17-7-3-4-8-18(17)30-21(24)25/h1-12,20-21,26H,(H,27,28)
InChIKeyMCYWSSCJYQEPRU-UHFFFAOYSA-N
XLogP7.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.50
LogP ≤ 57.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(difluoromethylsulfanyl)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-[4-(difluoromethylsulfanyl)anilino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 112791220
2-[4-(difluoromethylsulfanyl)anilino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2321982
2-[4-(difluoromethylsulfanyl)anilino]-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 112767366
2-[4-(difluoromethylsulfanyl)anilino]-N-methyl-N-propan-2-ylbenzamide
CID 112812209
[2-[4-(difluoromethylsulfanyl)anilino]phenyl]-piperazin-1-ylmethanone
CID 1182724
N-[2-(cyclopropanecarbonylamino)ethyl]-2-[4-(difluoromethylsulfanyl)anilino]benzamide
CID 112767631
2-[4-(difluoromethylsulfanyl)anilino]-N-(pyridin-2-ylmethyl)benzamide
CID 25469086
azepan-1-yl-[2-[4-(difluoromethylsulfanyl)anilino]phenyl]methanone
CID 2313407
N-[2-(difluoromethylsulfanyl)phenyl]-2-methoxybenzamide
CID 26181019
N-[2-(difluoromethylsulfanyl)phenyl]-2-fluoro-3-methylbenzamide
CID 80710567
1-[4-[2-[4-(difluoromethylsulfanyl)anilino]benzoyl]piperazin-1-yl]ethanone
CID 52895268
N-[2-(difluoromethylsulfanyl)phenyl]-2-nitrobenzamide
CID 16549753

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(difluoromethylsulfanyl)phenyl]benzamide?
The IUPAC name of 2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(difluoromethylsulfanyl)phenyl]benzamide (CID 21179535) is 2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(difluoromethylsulfanyl)phenyl]benzamide.
What is the SMILES notation for 2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(difluoromethylsulfanyl)phenyl]benzamide?
The canonical SMILES for 2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(difluoromethylsulfanyl)phenyl]benzamide is O=C(Nc1ccccc1SC(F)F)c1ccccc1Nc1ccc(SC(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(difluoromethylsulfanyl)phenyl]benzamide?
The InChIKey is MCYWSSCJYQEPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N2OS2/c22-20(23)29-14-11-9-13(10-12-14)26-16-6-2-1-5-15(16)19(28)27-17-7-3-4-8-18(17)30-21(24)25/h1-12,20-21,26H,(H,27,28).
What are the key properties of 2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(difluoromethylsulfanyl)phenyl]benzamide?
2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(difluoromethylsulfanyl)phenyl]benzamide has a molecular weight of 452.50 g/mol, XLogP of 7.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(difluoromethylsulfanyl)phenyl]benzamide is sourced from PubChem (CID 21179535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).