4-methylpyrimidine-2-sulfonamide

C5H7N3O2S — CID 22114194

IUPAC4-methylpyrimidine-2-sulfonamide
SMILESCc1ccnc(S(N)(=O)=O)n1
InChIInChI=1S/C5H7N3O2S/c1-4-2-3-7-5(8-4)11(6,9)10/h2-3H,1H3,(H2,6,9,10)
InChIKeyWXLNVTKRXIXEJI-UHFFFAOYSA-N
MW173.20 g/mol
LogP-0.57
Rot. Bonds1

About 4-methylpyrimidine-2-sulfonamide

4-methylpyrimidine-2-sulfonamide (PubChem CID 22114194) has the molecular formula C5H7N3O2S and a molecular weight of 173.20 g/mol. Its IUPAC name is 4-methylpyrimidine-2-sulfonamide.

Molecular Properties

Compound Name4-methylpyrimidine-2-sulfonamide
PubChem CID22114194
Molecular FormulaC5H7N3O2S
Molecular Weight173.20 g/mol
Exact Mass173.03
IUPAC Name4-methylpyrimidine-2-sulfonamide
SMILESCc1ccnc(S(N)(=O)=O)n1
InChIInChI=1S/C5H7N3O2S/c1-4-2-3-7-5(8-4)11(6,9)10/h2-3H,1H3,(H2,6,9,10)
InChIKeyWXLNVTKRXIXEJI-UHFFFAOYSA-N
XLogP-0.57
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.20
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylpyrimidine-2-sulfonamide?
The IUPAC name of 4-methylpyrimidine-2-sulfonamide (CID 22114194) is 4-methylpyrimidine-2-sulfonamide.
What is the SMILES notation for 4-methylpyrimidine-2-sulfonamide?
The canonical SMILES for 4-methylpyrimidine-2-sulfonamide is Cc1ccnc(S(N)(=O)=O)n1.
What is the InChIKey of 4-methylpyrimidine-2-sulfonamide?
The InChIKey is WXLNVTKRXIXEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2S/c1-4-2-3-7-5(8-4)11(6,9)10/h2-3H,1H3,(H2,6,9,10).
What are the key properties of 4-methylpyrimidine-2-sulfonamide?
4-methylpyrimidine-2-sulfonamide has a molecular weight of 173.20 g/mol, XLogP of -0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpyrimidine-2-sulfonamide is sourced from PubChem (CID 22114194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).