pyrimidine-2-sulfonamide

C4H5N3O2S — CID 18547005

IUPACpyrimidine-2-sulfonamide
SMILESNS(=O)(=O)c1ncccn1
InChIInChI=1S/C4H5N3O2S/c5-10(8,9)4-6-2-1-3-7-4/h1-3H,(H2,5,8,9)
InChIKeyWJJBIYLGJUVNJX-UHFFFAOYSA-N
MW159.17 g/mol
LogP-0.88
Rot. Bonds1

About pyrimidine-2-sulfonamide

pyrimidine-2-sulfonamide (PubChem CID 18547005) has the molecular formula C4H5N3O2S and a molecular weight of 159.17 g/mol. Its IUPAC name is pyrimidine-2-sulfonamide.

Molecular Properties

Compound Namepyrimidine-2-sulfonamide
PubChem CID18547005
Molecular FormulaC4H5N3O2S
Molecular Weight159.17 g/mol
Exact Mass159.01
IUPAC Namepyrimidine-2-sulfonamide
SMILESNS(=O)(=O)c1ncccn1
InChIInChI=1S/C4H5N3O2S/c5-10(8,9)4-6-2-1-3-7-4/h1-3H,(H2,5,8,9)
InChIKeyWJJBIYLGJUVNJX-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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Related Compounds

Pyrimidine
CID 9260
2-Aminopyrimidine
CID 7978
2-(Methylsulfanyl)pyrimidine
CID 522772
2-Pyrimidinamine, hydrochloride (1:?)
CID 21283515
2-[4-(Methylsulfonyl)-1-piperazinyl]pyrimidine
CID 841759
2-(Methylsulphonyl)pyrimidine
CID 13289225
2-(Methyldithio)Pyrimidine
CID 12278995
4-Chloro-2-(methylsulfonyl)pyrimidine
CID 11148232
Pyrimidine-2-sulfonyl fluoride
CID 12175574
Pyrimidine-5-sulfonamide
CID 19091293
N-2-pyrimidinylMethanesulfonamide
CID 257693
1-(Pyrimidin-2-yl)guanidine
CID 12253733

Frequently Asked Questions

What is the IUPAC name of pyrimidine-2-sulfonamide?
The IUPAC name of pyrimidine-2-sulfonamide (CID 18547005) is pyrimidine-2-sulfonamide.
What is the SMILES notation for pyrimidine-2-sulfonamide?
The canonical SMILES for pyrimidine-2-sulfonamide is NS(=O)(=O)c1ncccn1.
What is the InChIKey of pyrimidine-2-sulfonamide?
The InChIKey is WJJBIYLGJUVNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2S/c5-10(8,9)4-6-2-1-3-7-4/h1-3H,(H2,5,8,9).
What are the key properties of pyrimidine-2-sulfonamide?
pyrimidine-2-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-2-sulfonamide is sourced from PubChem (CID 18547005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).