2-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide

C7H9F2N3O2S — CID 66730591

IUPAC2-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(C(CF)CF)nc1
InChIInChI=1S/C7H9F2N3O2S/c8-1-5(2-9)7-11-3-6(4-12-7)15(10,13)14/h3-5H,1-2H2,(H2,10,13,14)
InChIKeySIVDZJHJPYAOGI-UHFFFAOYSA-N
MW237.23 g/mol
LogP0.15
Rot. Bonds4

About 2-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide

2-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide (PubChem CID 66730591) has the molecular formula C7H9F2N3O2S and a molecular weight of 237.23 g/mol. Its IUPAC name is 2-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide
PubChem CID66730591
Molecular FormulaC7H9F2N3O2S
Molecular Weight237.23 g/mol
Exact Mass237.04
IUPAC Name2-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(C(CF)CF)nc1
InChIInChI=1S/C7H9F2N3O2S/c8-1-5(2-9)7-11-3-6(4-12-7)15(10,13)14/h3-5H,1-2H2,(H2,10,13,14)
InChIKeySIVDZJHJPYAOGI-UHFFFAOYSA-N
XLogP0.15
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide (CID 66730591) is 2-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide is NS(=O)(=O)c1cnc(C(CF)CF)nc1.
What is the InChIKey of 2-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide?
The InChIKey is SIVDZJHJPYAOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O2S/c8-1-5(2-9)7-11-3-6(4-12-7)15(10,13)14/h3-5H,1-2H2,(H2,10,13,14).
What are the key properties of 2-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide?
2-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide has a molecular weight of 237.23 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 66730591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).