pyrimidine-5-sulfonamide

C4H5N3O2S — CID 19091293

IUPACpyrimidine-5-sulfonamide
SMILESNS(=O)(=O)c1cncnc1
InChIInChI=1S/C4H5N3O2S/c5-10(8,9)4-1-6-3-7-2-4/h1-3H,(H2,5,8,9)
InChIKeyNIRIGNIPEFMZHT-UHFFFAOYSA-N
MW159.17 g/mol
LogP-0.88
Rot. Bonds1

About pyrimidine-5-sulfonamide

pyrimidine-5-sulfonamide (PubChem CID 19091293) has the molecular formula C4H5N3O2S and a molecular weight of 159.17 g/mol. Its IUPAC name is pyrimidine-5-sulfonamide.

Molecular Properties

Compound Namepyrimidine-5-sulfonamide
PubChem CID19091293
Molecular FormulaC4H5N3O2S
Molecular Weight159.17 g/mol
Exact Mass159.01
IUPAC Namepyrimidine-5-sulfonamide
SMILESNS(=O)(=O)c1cncnc1
InChIInChI=1S/C4H5N3O2S/c5-10(8,9)4-1-6-3-7-2-4/h1-3H,(H2,5,8,9)
InChIKeyNIRIGNIPEFMZHT-UHFFFAOYSA-N
XLogP-0.88
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.17
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrimidine-5-sulfonamide?
The IUPAC name of pyrimidine-5-sulfonamide (CID 19091293) is pyrimidine-5-sulfonamide.
What is the SMILES notation for pyrimidine-5-sulfonamide?
The canonical SMILES for pyrimidine-5-sulfonamide is NS(=O)(=O)c1cncnc1.
What is the InChIKey of pyrimidine-5-sulfonamide?
The InChIKey is NIRIGNIPEFMZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2S/c5-10(8,9)4-1-6-3-7-2-4/h1-3H,(H2,5,8,9).
What are the key properties of pyrimidine-5-sulfonamide?
pyrimidine-5-sulfonamide has a molecular weight of 159.17 g/mol, XLogP of -0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidine-5-sulfonamide is sourced from PubChem (CID 19091293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).