N-[2-chloro-6-(methoxymethyl)phenyl]-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide

C15H15ClFN5O4S — CID 170406147

IUPACN-[2-chloro-6-(methoxymethyl)phenyl]-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
SMILESCCOc1nc(F)cc2nc(S(=O)(=O)Nc3c(Cl)cccc3COC)nn12
InChIInChI=1S/C15H15ClFN5O4S/c1-3-26-15-18-11(17)7-12-19-14(20-22(12)15)27(23,24)21-13-9(8-25-2)5-4-6-10(13)16/h4-7,21H,3,8H2,1-2H3
InChIKeyLSMNYCYZSJRHRQ-UHFFFAOYSA-N
MW415.83 g/mol
LogP2.26
Rot. Bonds7

About N-[2-chloro-6-(methoxymethyl)phenyl]-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide

N-[2-chloro-6-(methoxymethyl)phenyl]-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide (PubChem CID 170406147) has the molecular formula C15H15ClFN5O4S and a molecular weight of 415.83 g/mol. Its IUPAC name is N-[2-chloro-6-(methoxymethyl)phenyl]-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide.

Molecular Properties

Compound NameN-[2-chloro-6-(methoxymethyl)phenyl]-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
PubChem CID170406147
Molecular FormulaC15H15ClFN5O4S
Molecular Weight415.83 g/mol
Exact Mass415.05
IUPAC NameN-[2-chloro-6-(methoxymethyl)phenyl]-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
SMILESCCOc1nc(F)cc2nc(S(=O)(=O)Nc3c(Cl)cccc3COC)nn12
InChIInChI=1S/C15H15ClFN5O4S/c1-3-26-15-18-11(17)7-12-19-14(20-22(12)15)27(23,24)21-13-9(8-25-2)5-4-6-10(13)16/h4-7,21H,3,8H2,1-2H3
InChIKeyLSMNYCYZSJRHRQ-UHFFFAOYSA-N
XLogP2.26
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.83
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-(methoxymethyl)phenyl]-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?
The IUPAC name of N-[2-chloro-6-(methoxymethyl)phenyl]-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide (CID 170406147) is N-[2-chloro-6-(methoxymethyl)phenyl]-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide.
What is the SMILES notation for N-[2-chloro-6-(methoxymethyl)phenyl]-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?
The canonical SMILES for N-[2-chloro-6-(methoxymethyl)phenyl]-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide is CCOc1nc(F)cc2nc(S(=O)(=O)Nc3c(Cl)cccc3COC)nn12.
What is the InChIKey of N-[2-chloro-6-(methoxymethyl)phenyl]-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?
The InChIKey is LSMNYCYZSJRHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN5O4S/c1-3-26-15-18-11(17)7-12-19-14(20-22(12)15)27(23,24)21-13-9(8-25-2)5-4-6-10(13)16/h4-7,21H,3,8H2,1-2H3.
What are the key properties of N-[2-chloro-6-(methoxymethyl)phenyl]-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?
N-[2-chloro-6-(methoxymethyl)phenyl]-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide has a molecular weight of 415.83 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-(methoxymethyl)phenyl]-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide is sourced from PubChem (CID 170406147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).