2,6-dichloro-N-(8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide

C12H8Cl2FN5O3S — CID 15477107

IUPAC2,6-dichloro-N-(8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide
SMILESCOc1ncc(F)c2nc(NS(=O)(=O)c3c(Cl)cccc3Cl)nn12
InChIInChI=1S/C12H8Cl2FN5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)19-24(21,22)9-6(13)3-2-4-7(9)14/h2-5H,1H3,(H,18,19)
InChIKeyHESLQFPDPPOTQS-UHFFFAOYSA-N
MW392.20 g/mol
LogP2.38
Rot. Bonds4

About 2,6-dichloro-N-(8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide

2,6-dichloro-N-(8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide (PubChem CID 15477107) has the molecular formula C12H8Cl2FN5O3S and a molecular weight of 392.20 g/mol. Its IUPAC name is 2,6-dichloro-N-(8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-(8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide
PubChem CID15477107
Molecular FormulaC12H8Cl2FN5O3S
Molecular Weight392.20 g/mol
Exact Mass390.97
IUPAC Name2,6-dichloro-N-(8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide
SMILESCOc1ncc(F)c2nc(NS(=O)(=O)c3c(Cl)cccc3Cl)nn12
InChIInChI=1S/C12H8Cl2FN5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)19-24(21,22)9-6(13)3-2-4-7(9)14/h2-5H,1H3,(H,18,19)
InChIKeyHESLQFPDPPOTQS-UHFFFAOYSA-N
XLogP2.38
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.20
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-(8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide (CID 15477107) is 2,6-dichloro-N-(8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-(8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-(8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide is COc1ncc(F)c2nc(NS(=O)(=O)c3c(Cl)cccc3Cl)nn12.
What is the InChIKey of 2,6-dichloro-N-(8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide?
The InChIKey is HESLQFPDPPOTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FN5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)19-24(21,22)9-6(13)3-2-4-7(9)14/h2-5H,1H3,(H,18,19).
What are the key properties of 2,6-dichloro-N-(8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide?
2,6-dichloro-N-(8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide has a molecular weight of 392.20 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 15477107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).