2-(difluoromethoxy)pyrimidine-5-sulfonamide

C5H5F2N3O3S — CID 19091295

IUPAC2-(difluoromethoxy)pyrimidine-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(OC(F)F)nc1
InChIInChI=1S/C5H5F2N3O3S/c6-4(7)13-5-9-1-3(2-10-5)14(8,11)12/h1-2,4H,(H2,8,11,12)
InChIKeyNXPABUGEWIQMBN-UHFFFAOYSA-N
MW225.18 g/mol
LogP-0.27
Rot. Bonds3

About 2-(difluoromethoxy)pyrimidine-5-sulfonamide

2-(difluoromethoxy)pyrimidine-5-sulfonamide (PubChem CID 19091295) has the molecular formula C5H5F2N3O3S and a molecular weight of 225.18 g/mol. Its IUPAC name is 2-(difluoromethoxy)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-(difluoromethoxy)pyrimidine-5-sulfonamide
PubChem CID19091295
Molecular FormulaC5H5F2N3O3S
Molecular Weight225.18 g/mol
Exact Mass225.00
IUPAC Name2-(difluoromethoxy)pyrimidine-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(OC(F)F)nc1
InChIInChI=1S/C5H5F2N3O3S/c6-4(7)13-5-9-1-3(2-10-5)14(8,11)12/h1-2,4H,(H2,8,11,12)
InChIKeyNXPABUGEWIQMBN-UHFFFAOYSA-N
XLogP-0.27
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.18
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)pyrimidine-5-sulfonamide?
The IUPAC name of 2-(difluoromethoxy)pyrimidine-5-sulfonamide (CID 19091295) is 2-(difluoromethoxy)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-(difluoromethoxy)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-(difluoromethoxy)pyrimidine-5-sulfonamide is NS(=O)(=O)c1cnc(OC(F)F)nc1.
What is the InChIKey of 2-(difluoromethoxy)pyrimidine-5-sulfonamide?
The InChIKey is NXPABUGEWIQMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2N3O3S/c6-4(7)13-5-9-1-3(2-10-5)14(8,11)12/h1-2,4H,(H2,8,11,12).
What are the key properties of 2-(difluoromethoxy)pyrimidine-5-sulfonamide?
2-(difluoromethoxy)pyrimidine-5-sulfonamide has a molecular weight of 225.18 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)pyrimidine-5-sulfonamide is sourced from PubChem (CID 19091295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).