4-(difluoromethylsulfanyl)-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide

C18H15F2N3OS — CID 75468500

IUPAC4-(difluoromethylsulfanyl)-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide
SMILESCc1cnn(-c2ccccc2)c1NC(=O)c1ccc(SC(F)F)cc1
InChIInChI=1S/C18H15F2N3OS/c1-12-11-21-23(14-5-3-2-4-6-14)16(12)22-17(24)13-7-9-15(10-8-13)25-18(19)20/h2-11,18H,1H3,(H,22,24)
InChIKeyORZORKHDWGEPNQ-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.75
Rot. Bonds5

About 4-(difluoromethylsulfanyl)-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide

4-(difluoromethylsulfanyl)-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide (PubChem CID 75468500) has the molecular formula C18H15F2N3OS and a molecular weight of 359.40 g/mol. Its IUPAC name is 4-(difluoromethylsulfanyl)-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfanyl)-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide
PubChem CID75468500
Molecular FormulaC18H15F2N3OS
Molecular Weight359.40 g/mol
Exact Mass359.09
IUPAC Name4-(difluoromethylsulfanyl)-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide
SMILESCc1cnn(-c2ccccc2)c1NC(=O)c1ccc(SC(F)F)cc1
InChIInChI=1S/C18H15F2N3OS/c1-12-11-21-23(14-5-3-2-4-6-14)16(12)22-17(24)13-7-9-15(10-8-13)25-18(19)20/h2-11,18H,1H3,(H,22,24)
InChIKeyORZORKHDWGEPNQ-UHFFFAOYSA-N
XLogP4.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfanyl)-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide?
The IUPAC name of 4-(difluoromethylsulfanyl)-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide (CID 75468500) is 4-(difluoromethylsulfanyl)-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide.
What is the SMILES notation for 4-(difluoromethylsulfanyl)-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide?
The canonical SMILES for 4-(difluoromethylsulfanyl)-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide is Cc1cnn(-c2ccccc2)c1NC(=O)c1ccc(SC(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfanyl)-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide?
The InChIKey is ORZORKHDWGEPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3OS/c1-12-11-21-23(14-5-3-2-4-6-14)16(12)22-17(24)13-7-9-15(10-8-13)25-18(19)20/h2-11,18H,1H3,(H,22,24).
What are the key properties of 4-(difluoromethylsulfanyl)-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide?
4-(difluoromethylsulfanyl)-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide has a molecular weight of 359.40 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfanyl)-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide is sourced from PubChem (CID 75468500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).