4-(difluoromethylsulfanyl)-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide

C17H14F2N4OS — CID 75477317

IUPAC4-(difluoromethylsulfanyl)-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
SMILESCn1cnc(-c2ccc(NC(=O)c3ccc(SC(F)F)cc3)cc2)n1
InChIInChI=1S/C17H14F2N4OS/c1-23-10-20-15(22-23)11-2-6-13(7-3-11)21-16(24)12-4-8-14(9-5-12)25-17(18)19/h2-10,17H,1H3,(H,21,24)
InChIKeyWEDYZZNMLVPICP-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.05
Rot. Bonds5

About 4-(difluoromethylsulfanyl)-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide

4-(difluoromethylsulfanyl)-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide (PubChem CID 75477317) has the molecular formula C17H14F2N4OS and a molecular weight of 360.39 g/mol. Its IUPAC name is 4-(difluoromethylsulfanyl)-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfanyl)-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
PubChem CID75477317
Molecular FormulaC17H14F2N4OS
Molecular Weight360.39 g/mol
Exact Mass360.09
IUPAC Name4-(difluoromethylsulfanyl)-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
SMILESCn1cnc(-c2ccc(NC(=O)c3ccc(SC(F)F)cc3)cc2)n1
InChIInChI=1S/C17H14F2N4OS/c1-23-10-20-15(22-23)11-2-6-13(7-3-11)21-16(24)12-4-8-14(9-5-12)25-17(18)19/h2-10,17H,1H3,(H,21,24)
InChIKeyWEDYZZNMLVPICP-UHFFFAOYSA-N
XLogP4.05
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(difluoromethylsulfanyl)-N-[4-(1-methyl-1,2,4-triazol-3-yl)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

4-acetyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 75504194
4-(difluoromethylsulfanyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 18206147
4-(difluoromethylsulfanyl)-N-(1-methylpyrazol-3-yl)benzamide
CID 18152749
N-[4-(azepane-1-carbonyl)phenyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 75475339
4-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-diethylbenzamide
CID 24617722
N-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)benzamide
CID 2567810
4-(difluoromethylsulfanyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 42030668
4-(difluoromethylsulfanyl)-N-(6-methoxy-3-pyridinyl)benzamide
CID 42030650
N-(1-ethyl-6-oxo-3-pyridinyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 136521739
N-[4-(difluoromethylsulfanyl)phenyl]-3,4,5-trimethoxybenzamide
CID 4024378
4-(cyclopropanecarbonylamino)-N-[4-(difluoromethylsulfanyl)phenyl]benzamide
CID 26908479
N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazine-2-carboxamide
CID 75521085

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfanyl)-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide?
The IUPAC name of 4-(difluoromethylsulfanyl)-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide (CID 75477317) is 4-(difluoromethylsulfanyl)-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-(difluoromethylsulfanyl)-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide?
The canonical SMILES for 4-(difluoromethylsulfanyl)-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide is Cn1cnc(-c2ccc(NC(=O)c3ccc(SC(F)F)cc3)cc2)n1.
What is the InChIKey of 4-(difluoromethylsulfanyl)-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide?
The InChIKey is WEDYZZNMLVPICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4OS/c1-23-10-20-15(22-23)11-2-6-13(7-3-11)21-16(24)12-4-8-14(9-5-12)25-17(18)19/h2-10,17H,1H3,(H,21,24).
What are the key properties of 4-(difluoromethylsulfanyl)-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide?
4-(difluoromethylsulfanyl)-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide has a molecular weight of 360.39 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfanyl)-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 75477317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).