4-[2-(4-methoxyphenyl)-5H-imidazo[2,1-f][1,2,4]triazin-3-yl]benzenesulfonamide

C18H17N5O3S — CID 70025323

IUPAC4-[2-(4-methoxyphenyl)-5H-imidazo[2,1-f][1,2,4]triazin-3-yl]benzenesulfonamide
SMILESCOc1ccc(C2=NN3C=CNC3=CN2c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H17N5O3S/c1-26-15-6-2-13(3-7-15)18-21-23-11-10-20-17(23)12-22(18)14-4-8-16(9-5-14)27(19,24)25/h2-12,20H,1H3,(H2,19,24,25)
InChIKeyBPNQNXWFVAAYJD-UHFFFAOYSA-N
MW383.43 g/mol
LogP1.70
Rot. Bonds4

About 4-[2-(4-methoxyphenyl)-5H-imidazo[2,1-f][1,2,4]triazin-3-yl]benzenesulfonamide

4-[2-(4-methoxyphenyl)-5H-imidazo[2,1-f][1,2,4]triazin-3-yl]benzenesulfonamide (PubChem CID 70025323) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)-5H-imidazo[2,1-f][1,2,4]triazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)-5H-imidazo[2,1-f][1,2,4]triazin-3-yl]benzenesulfonamide
PubChem CID70025323
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC Name4-[2-(4-methoxyphenyl)-5H-imidazo[2,1-f][1,2,4]triazin-3-yl]benzenesulfonamide
SMILESCOc1ccc(C2=NN3C=CNC3=CN2c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H17N5O3S/c1-26-15-6-2-13(3-7-15)18-21-23-11-10-20-17(23)12-22(18)14-4-8-16(9-5-14)27(19,24)25/h2-12,20H,1H3,(H2,19,24,25)
InChIKeyBPNQNXWFVAAYJD-UHFFFAOYSA-N
XLogP1.70
TPSA100.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)-5H-imidazo[2,1-f][1,2,4]triazin-3-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(4-methoxyphenyl)-5H-imidazo[2,1-f][1,2,4]triazin-3-yl]benzenesulfonamide (CID 70025323) is 4-[2-(4-methoxyphenyl)-5H-imidazo[2,1-f][1,2,4]triazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)-5H-imidazo[2,1-f][1,2,4]triazin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(4-methoxyphenyl)-5H-imidazo[2,1-f][1,2,4]triazin-3-yl]benzenesulfonamide is COc1ccc(C2=NN3C=CNC3=CN2c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)-5H-imidazo[2,1-f][1,2,4]triazin-3-yl]benzenesulfonamide?
The InChIKey is BPNQNXWFVAAYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S/c1-26-15-6-2-13(3-7-15)18-21-23-11-10-20-17(23)12-22(18)14-4-8-16(9-5-14)27(19,24)25/h2-12,20H,1H3,(H2,19,24,25).
What are the key properties of 4-[2-(4-methoxyphenyl)-5H-imidazo[2,1-f][1,2,4]triazin-3-yl]benzenesulfonamide?
4-[2-(4-methoxyphenyl)-5H-imidazo[2,1-f][1,2,4]triazin-3-yl]benzenesulfonamide has a molecular weight of 383.43 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)-5H-imidazo[2,1-f][1,2,4]triazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 70025323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).