4-fluoro-1,3,5-triazine-2-sulfonyl chloride

C3HClFN3O2S — CID 87327518

IUPAC4-fluoro-1,3,5-triazine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ncnc(F)n1
InChIInChI=1S/C3HClFN3O2S/c4-11(9,10)3-7-1-6-2(5)8-3/h1H
InChIKeySEMPUIQQYXPBQO-UHFFFAOYSA-N
MW197.58 g/mol
LogP-0.06
Rot. Bonds1

About 4-fluoro-1,3,5-triazine-2-sulfonyl chloride

4-fluoro-1,3,5-triazine-2-sulfonyl chloride (PubChem CID 87327518) has the molecular formula C3HClFN3O2S and a molecular weight of 197.58 g/mol. Its IUPAC name is 4-fluoro-1,3,5-triazine-2-sulfonyl chloride.

Molecular Properties

Compound Name4-fluoro-1,3,5-triazine-2-sulfonyl chloride
PubChem CID87327518
Molecular FormulaC3HClFN3O2S
Molecular Weight197.58 g/mol
Exact Mass196.95
IUPAC Name4-fluoro-1,3,5-triazine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ncnc(F)n1
InChIInChI=1S/C3HClFN3O2S/c4-11(9,10)3-7-1-6-2(5)8-3/h1H
InChIKeySEMPUIQQYXPBQO-UHFFFAOYSA-N
XLogP-0.06
TPSA72.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.58
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,3,5-triazine-2-sulfonyl chloride?
The IUPAC name of 4-fluoro-1,3,5-triazine-2-sulfonyl chloride (CID 87327518) is 4-fluoro-1,3,5-triazine-2-sulfonyl chloride.
What is the SMILES notation for 4-fluoro-1,3,5-triazine-2-sulfonyl chloride?
The canonical SMILES for 4-fluoro-1,3,5-triazine-2-sulfonyl chloride is O=S(=O)(Cl)c1ncnc(F)n1.
What is the InChIKey of 4-fluoro-1,3,5-triazine-2-sulfonyl chloride?
The InChIKey is SEMPUIQQYXPBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HClFN3O2S/c4-11(9,10)3-7-1-6-2(5)8-3/h1H.
What are the key properties of 4-fluoro-1,3,5-triazine-2-sulfonyl chloride?
4-fluoro-1,3,5-triazine-2-sulfonyl chloride has a molecular weight of 197.58 g/mol, XLogP of -0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,3,5-triazine-2-sulfonyl chloride is sourced from PubChem (CID 87327518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).