[3-[[4-[2-(methoxymethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide

C18H19N5O3S — CID 53492133

IUPAC[3-[[4-[2-(methoxymethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide
SMILESCOCc1ccccc1-c1ncnc(Nc2cccc(CS(N)(=O)=O)c2)n1
InChIInChI=1S/C18H19N5O3S/c1-26-10-14-6-2-3-8-16(14)17-20-12-21-18(23-17)22-15-7-4-5-13(9-15)11-27(19,24)25/h2-9,12H,10-11H2,1H3,(H2,19,24,25)(H,20,21,22,23)
InChIKeyTZAGLTNYDFCLRD-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.22
Rot. Bonds7

About [3-[[4-[2-(methoxymethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide

[3-[[4-[2-(methoxymethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide (PubChem CID 53492133) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is [3-[[4-[2-(methoxymethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide.

Molecular Properties

Compound Name[3-[[4-[2-(methoxymethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide
PubChem CID53492133
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name[3-[[4-[2-(methoxymethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide
SMILESCOCc1ccccc1-c1ncnc(Nc2cccc(CS(N)(=O)=O)c2)n1
InChIInChI=1S/C18H19N5O3S/c1-26-10-14-6-2-3-8-16(14)17-20-12-21-18(23-17)22-15-7-4-5-13(9-15)11-27(19,24)25/h2-9,12H,10-11H2,1H3,(H2,19,24,25)(H,20,21,22,23)
InChIKeyTZAGLTNYDFCLRD-UHFFFAOYSA-N
XLogP2.22
TPSA120.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[[4-[2-(methoxymethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide?
The IUPAC name of [3-[[4-[2-(methoxymethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide (CID 53492133) is [3-[[4-[2-(methoxymethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide.
What is the SMILES notation for [3-[[4-[2-(methoxymethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide?
The canonical SMILES for [3-[[4-[2-(methoxymethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide is COCc1ccccc1-c1ncnc(Nc2cccc(CS(N)(=O)=O)c2)n1.
What is the InChIKey of [3-[[4-[2-(methoxymethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide?
The InChIKey is TZAGLTNYDFCLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-26-10-14-6-2-3-8-16(14)17-20-12-21-18(23-17)22-15-7-4-5-13(9-15)11-27(19,24)25/h2-9,12H,10-11H2,1H3,(H2,19,24,25)(H,20,21,22,23).
What are the key properties of [3-[[4-[2-(methoxymethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide?
[3-[[4-[2-(methoxymethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide has a molecular weight of 385.45 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-[2-(methoxymethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide is sourced from PubChem (CID 53492133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).