6-methoxypyrimidine-4-sulfonamide

C5H7N3O3S — CID 45080602

IUPAC6-methoxypyrimidine-4-sulfonamide
SMILESCOc1cc(S(N)(=O)=O)ncn1
InChIInChI=1S/C5H7N3O3S/c1-11-4-2-5(8-3-7-4)12(6,9)10/h2-3H,1H3,(H2,6,9,10)
InChIKeyDHMMPQXBZHCZGU-UHFFFAOYSA-N
MW189.20 g/mol
LogP-0.87
Rot. Bonds2

About 6-methoxypyrimidine-4-sulfonamide

6-methoxypyrimidine-4-sulfonamide (PubChem CID 45080602) has the molecular formula C5H7N3O3S and a molecular weight of 189.20 g/mol. Its IUPAC name is 6-methoxypyrimidine-4-sulfonamide.

Molecular Properties

Compound Name6-methoxypyrimidine-4-sulfonamide
PubChem CID45080602
Molecular FormulaC5H7N3O3S
Molecular Weight189.20 g/mol
Exact Mass189.02
IUPAC Name6-methoxypyrimidine-4-sulfonamide
SMILESCOc1cc(S(N)(=O)=O)ncn1
InChIInChI=1S/C5H7N3O3S/c1-11-4-2-5(8-3-7-4)12(6,9)10/h2-3H,1H3,(H2,6,9,10)
InChIKeyDHMMPQXBZHCZGU-UHFFFAOYSA-N
XLogP-0.87
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.20
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxypyrimidine-4-sulfonamide?
The IUPAC name of 6-methoxypyrimidine-4-sulfonamide (CID 45080602) is 6-methoxypyrimidine-4-sulfonamide.
What is the SMILES notation for 6-methoxypyrimidine-4-sulfonamide?
The canonical SMILES for 6-methoxypyrimidine-4-sulfonamide is COc1cc(S(N)(=O)=O)ncn1.
What is the InChIKey of 6-methoxypyrimidine-4-sulfonamide?
The InChIKey is DHMMPQXBZHCZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O3S/c1-11-4-2-5(8-3-7-4)12(6,9)10/h2-3H,1H3,(H2,6,9,10).
What are the key properties of 6-methoxypyrimidine-4-sulfonamide?
6-methoxypyrimidine-4-sulfonamide has a molecular weight of 189.20 g/mol, XLogP of -0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxypyrimidine-4-sulfonamide is sourced from PubChem (CID 45080602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).