N-[4-[2,5-bis(difluoromethoxy)phenyl]pyrimidin-2-yl]methanesulfonamide

C13H11F4N3O4S — CID 11773437

IUPACN-[4-[2,5-bis(difluoromethoxy)phenyl]pyrimidin-2-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1nccc(-c2cc(OC(F)F)ccc2OC(F)F)n1
InChIInChI=1S/C13H11F4N3O4S/c1-25(21,22)20-13-18-5-4-9(19-13)8-6-7(23-11(14)15)2-3-10(8)24-12(16)17/h2-6,11-12H,1H3,(H,18,19,20)
InChIKeyAIVBKIUEIOLKOR-UHFFFAOYSA-N
MW381.31 g/mol
LogP2.72
Rot. Bonds7

About N-[4-[2,5-bis(difluoromethoxy)phenyl]pyrimidin-2-yl]methanesulfonamide

N-[4-[2,5-bis(difluoromethoxy)phenyl]pyrimidin-2-yl]methanesulfonamide (PubChem CID 11773437) has the molecular formula C13H11F4N3O4S and a molecular weight of 381.31 g/mol. Its IUPAC name is N-[4-[2,5-bis(difluoromethoxy)phenyl]pyrimidin-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2,5-bis(difluoromethoxy)phenyl]pyrimidin-2-yl]methanesulfonamide
PubChem CID11773437
Molecular FormulaC13H11F4N3O4S
Molecular Weight381.31 g/mol
Exact Mass381.04
IUPAC NameN-[4-[2,5-bis(difluoromethoxy)phenyl]pyrimidin-2-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1nccc(-c2cc(OC(F)F)ccc2OC(F)F)n1
InChIInChI=1S/C13H11F4N3O4S/c1-25(21,22)20-13-18-5-4-9(19-13)8-6-7(23-11(14)15)2-3-10(8)24-12(16)17/h2-6,11-12H,1H3,(H,18,19,20)
InChIKeyAIVBKIUEIOLKOR-UHFFFAOYSA-N
XLogP2.72
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2,5-bis(difluoromethoxy)phenyl]pyrimidin-2-yl]methanesulfonamide?
The IUPAC name of N-[4-[2,5-bis(difluoromethoxy)phenyl]pyrimidin-2-yl]methanesulfonamide (CID 11773437) is N-[4-[2,5-bis(difluoromethoxy)phenyl]pyrimidin-2-yl]methanesulfonamide.
What is the SMILES notation for N-[4-[2,5-bis(difluoromethoxy)phenyl]pyrimidin-2-yl]methanesulfonamide?
The canonical SMILES for N-[4-[2,5-bis(difluoromethoxy)phenyl]pyrimidin-2-yl]methanesulfonamide is CS(=O)(=O)Nc1nccc(-c2cc(OC(F)F)ccc2OC(F)F)n1.
What is the InChIKey of N-[4-[2,5-bis(difluoromethoxy)phenyl]pyrimidin-2-yl]methanesulfonamide?
The InChIKey is AIVBKIUEIOLKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4N3O4S/c1-25(21,22)20-13-18-5-4-9(19-13)8-6-7(23-11(14)15)2-3-10(8)24-12(16)17/h2-6,11-12H,1H3,(H,18,19,20).
What are the key properties of N-[4-[2,5-bis(difluoromethoxy)phenyl]pyrimidin-2-yl]methanesulfonamide?
N-[4-[2,5-bis(difluoromethoxy)phenyl]pyrimidin-2-yl]methanesulfonamide has a molecular weight of 381.31 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,5-bis(difluoromethoxy)phenyl]pyrimidin-2-yl]methanesulfonamide is sourced from PubChem (CID 11773437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).