8-chloro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride

C6H4Cl2N4O3S — CID 15003647

IUPAC8-chloro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride
SMILESCOc1ncc(Cl)c2nc(S(=O)(=O)Cl)nn12
InChIInChI=1S/C6H4Cl2N4O3S/c1-15-6-9-2-3(7)4-10-5(11-12(4)6)16(8,13)14/h2H,1H3
InChIKeyDZSDPRWWVPGCMZ-UHFFFAOYSA-N
MW283.10 g/mol
LogP0.71
Rot. Bonds2

About 8-chloro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride

8-chloro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride (PubChem CID 15003647) has the molecular formula C6H4Cl2N4O3S and a molecular weight of 283.10 g/mol. Its IUPAC name is 8-chloro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride.

Molecular Properties

Compound Name8-chloro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride
PubChem CID15003647
Molecular FormulaC6H4Cl2N4O3S
Molecular Weight283.10 g/mol
Exact Mass281.94
IUPAC Name8-chloro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride
SMILESCOc1ncc(Cl)c2nc(S(=O)(=O)Cl)nn12
InChIInChI=1S/C6H4Cl2N4O3S/c1-15-6-9-2-3(7)4-10-5(11-12(4)6)16(8,13)14/h2H,1H3
InChIKeyDZSDPRWWVPGCMZ-UHFFFAOYSA-N
XLogP0.71
TPSA86.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.10
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride?
The IUPAC name of 8-chloro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride (CID 15003647) is 8-chloro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride.
What is the SMILES notation for 8-chloro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride?
The canonical SMILES for 8-chloro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride is COc1ncc(Cl)c2nc(S(=O)(=O)Cl)nn12.
What is the InChIKey of 8-chloro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride?
The InChIKey is DZSDPRWWVPGCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2N4O3S/c1-15-6-9-2-3(7)4-10-5(11-12(4)6)16(8,13)14/h2H,1H3.
What are the key properties of 8-chloro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride?
8-chloro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride has a molecular weight of 283.10 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride is sourced from PubChem (CID 15003647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).