4,6-dimethoxy-1,3,5-triazine-2-sulfonamide

C5H8N4O4S — CID 62860558

IUPAC4,6-dimethoxy-1,3,5-triazine-2-sulfonamide
SMILESCOc1nc(OC)nc(S(N)(=O)=O)n1
InChIInChI=1S/C5H8N4O4S/c1-12-3-7-4(13-2)9-5(8-3)14(6,10)11/h1-2H3,(H2,6,10,11)
InChIKeyXQIQDSVLFCRCLC-UHFFFAOYSA-N
MW220.21 g/mol
LogP-1.46
Rot. Bonds3

About 4,6-dimethoxy-1,3,5-triazine-2-sulfonamide

4,6-dimethoxy-1,3,5-triazine-2-sulfonamide (PubChem CID 62860558) has the molecular formula C5H8N4O4S and a molecular weight of 220.21 g/mol. Its IUPAC name is 4,6-dimethoxy-1,3,5-triazine-2-sulfonamide.

Molecular Properties

Compound Name4,6-dimethoxy-1,3,5-triazine-2-sulfonamide
PubChem CID62860558
Molecular FormulaC5H8N4O4S
Molecular Weight220.21 g/mol
Exact Mass220.03
IUPAC Name4,6-dimethoxy-1,3,5-triazine-2-sulfonamide
SMILESCOc1nc(OC)nc(S(N)(=O)=O)n1
InChIInChI=1S/C5H8N4O4S/c1-12-3-7-4(13-2)9-5(8-3)14(6,10)11/h1-2H3,(H2,6,10,11)
InChIKeyXQIQDSVLFCRCLC-UHFFFAOYSA-N
XLogP-1.46
TPSA117.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 5-1.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-1,3,5-triazine-2-sulfonamide?
The IUPAC name of 4,6-dimethoxy-1,3,5-triazine-2-sulfonamide (CID 62860558) is 4,6-dimethoxy-1,3,5-triazine-2-sulfonamide.
What is the SMILES notation for 4,6-dimethoxy-1,3,5-triazine-2-sulfonamide?
The canonical SMILES for 4,6-dimethoxy-1,3,5-triazine-2-sulfonamide is COc1nc(OC)nc(S(N)(=O)=O)n1.
What is the InChIKey of 4,6-dimethoxy-1,3,5-triazine-2-sulfonamide?
The InChIKey is XQIQDSVLFCRCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O4S/c1-12-3-7-4(13-2)9-5(8-3)14(6,10)11/h1-2H3,(H2,6,10,11).
What are the key properties of 4,6-dimethoxy-1,3,5-triazine-2-sulfonamide?
4,6-dimethoxy-1,3,5-triazine-2-sulfonamide has a molecular weight of 220.21 g/mol, XLogP of -1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-1,3,5-triazine-2-sulfonamide is sourced from PubChem (CID 62860558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).