2-(difluoromethylsulfonyl)-N-(2-phenoxypyrimidin-5-yl)benzamide

C18H13F2N3O4S — CID 122302400

IUPAC2-(difluoromethylsulfonyl)-N-(2-phenoxypyrimidin-5-yl)benzamide
SMILESO=C(Nc1cnc(Oc2ccccc2)nc1)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C18H13F2N3O4S/c19-17(20)28(25,26)15-9-5-4-8-14(15)16(24)23-12-10-21-18(22-11-12)27-13-6-2-1-3-7-13/h1-11,17H,(H,23,24)
InChIKeyZBYXIIZEGUIGNE-UHFFFAOYSA-N
MW405.38 g/mol
LogP3.52
Rot. Bonds6

About 2-(difluoromethylsulfonyl)-N-(2-phenoxypyrimidin-5-yl)benzamide

2-(difluoromethylsulfonyl)-N-(2-phenoxypyrimidin-5-yl)benzamide (PubChem CID 122302400) has the molecular formula C18H13F2N3O4S and a molecular weight of 405.38 g/mol. Its IUPAC name is 2-(difluoromethylsulfonyl)-N-(2-phenoxypyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name2-(difluoromethylsulfonyl)-N-(2-phenoxypyrimidin-5-yl)benzamide
PubChem CID122302400
Molecular FormulaC18H13F2N3O4S
Molecular Weight405.38 g/mol
Exact Mass405.06
IUPAC Name2-(difluoromethylsulfonyl)-N-(2-phenoxypyrimidin-5-yl)benzamide
SMILESO=C(Nc1cnc(Oc2ccccc2)nc1)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C18H13F2N3O4S/c19-17(20)28(25,26)15-9-5-4-8-14(15)16(24)23-12-10-21-18(22-11-12)27-13-6-2-1-3-7-13/h1-11,17H,(H,23,24)
InChIKeyZBYXIIZEGUIGNE-UHFFFAOYSA-N
XLogP3.52
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(difluoromethylsulfonyl)-N-(2-phenoxypyrimidin-5-yl)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

N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302199
2,5-dimethyl-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302232
1-(2-phenoxypyrimidin-5-yl)-3-phenylurea
CID 122302271
2,2-dimethyl-N-(2-phenoxypyrimidin-5-yl)propanamide
CID 122302193
N-(2-phenoxypyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 122302417
N-(2-phenoxypyrimidin-5-yl)naphthalene-2-carboxamide
CID 122302221
N-(2-phenoxypyrimidin-5-yl)quinoxaline-2-carboxamide
CID 122302374
N-(2-phenoxypyrimidin-5-yl)prop-2-enamide
CID 139021184
2-phenoxy-N-phenylbenzamide
CID 3402306
2-(difluoromethylsulfonyl)-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 122296136
4-(dimethylamino)-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302379
4-methylsulfanyl-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302430

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonyl)-N-(2-phenoxypyrimidin-5-yl)benzamide?
The IUPAC name of 2-(difluoromethylsulfonyl)-N-(2-phenoxypyrimidin-5-yl)benzamide (CID 122302400) is 2-(difluoromethylsulfonyl)-N-(2-phenoxypyrimidin-5-yl)benzamide.
What is the SMILES notation for 2-(difluoromethylsulfonyl)-N-(2-phenoxypyrimidin-5-yl)benzamide?
The canonical SMILES for 2-(difluoromethylsulfonyl)-N-(2-phenoxypyrimidin-5-yl)benzamide is O=C(Nc1cnc(Oc2ccccc2)nc1)c1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of 2-(difluoromethylsulfonyl)-N-(2-phenoxypyrimidin-5-yl)benzamide?
The InChIKey is ZBYXIIZEGUIGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O4S/c19-17(20)28(25,26)15-9-5-4-8-14(15)16(24)23-12-10-21-18(22-11-12)27-13-6-2-1-3-7-13/h1-11,17H,(H,23,24).
What are the key properties of 2-(difluoromethylsulfonyl)-N-(2-phenoxypyrimidin-5-yl)benzamide?
2-(difluoromethylsulfonyl)-N-(2-phenoxypyrimidin-5-yl)benzamide has a molecular weight of 405.38 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonyl)-N-(2-phenoxypyrimidin-5-yl)benzamide is sourced from PubChem (CID 122302400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).