2-(difluoromethylsulfonyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide

C16H17F2N3O4S — CID 90597783

IUPAC2-(difluoromethylsulfonyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(C2CCOCC2)c1)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C16H17F2N3O4S/c17-16(18)26(23,24)14-4-2-1-3-13(14)15(22)20-11-9-19-21(10-11)12-5-7-25-8-6-12/h1-4,9-10,12,16H,5-8H2,(H,20,22)
InChIKeySVDDSWHGRLIUBX-UHFFFAOYSA-N
MW385.39 g/mol
LogP2.48
Rot. Bonds5

About 2-(difluoromethylsulfonyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide

2-(difluoromethylsulfonyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide (PubChem CID 90597783) has the molecular formula C16H17F2N3O4S and a molecular weight of 385.39 g/mol. Its IUPAC name is 2-(difluoromethylsulfonyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2-(difluoromethylsulfonyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide
PubChem CID90597783
Molecular FormulaC16H17F2N3O4S
Molecular Weight385.39 g/mol
Exact Mass385.09
IUPAC Name2-(difluoromethylsulfonyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(C2CCOCC2)c1)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C16H17F2N3O4S/c17-16(18)26(23,24)14-4-2-1-3-13(14)15(22)20-11-9-19-21(10-11)12-5-7-25-8-6-12/h1-4,9-10,12,16H,5-8H2,(H,20,22)
InChIKeySVDDSWHGRLIUBX-UHFFFAOYSA-N
XLogP2.48
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide?
The IUPAC name of 2-(difluoromethylsulfonyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide (CID 90597783) is 2-(difluoromethylsulfonyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 2-(difluoromethylsulfonyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide?
The canonical SMILES for 2-(difluoromethylsulfonyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide is O=C(Nc1cnn(C2CCOCC2)c1)c1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of 2-(difluoromethylsulfonyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide?
The InChIKey is SVDDSWHGRLIUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O4S/c17-16(18)26(23,24)14-4-2-1-3-13(14)15(22)20-11-9-19-21(10-11)12-5-7-25-8-6-12/h1-4,9-10,12,16H,5-8H2,(H,20,22).
What are the key properties of 2-(difluoromethylsulfonyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide?
2-(difluoromethylsulfonyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide has a molecular weight of 385.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 90597783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).