sodium;1-[2-(2-fluoroethoxy)-6-methylphenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea;hydride

C15H19FN5NaO5S — CID 173095459

IUPACsodium;1-[2-(2-fluoroethoxy)-6-methylphenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea;hydride
SMILESCOc1nc(C)nc(NC(=O)NS(=O)(=O)c2c(C)cccc2OCCF)n1.[H-].[Na+]
InChIInChI=1S/C15H18FN5O5S.Na.H/c1-9-5-4-6-11(26-8-7-16)12(9)27(23,24)21-14(22)19-13-17-10(2)18-15(20-13)25-3;;/h4-6H,7-8H2,1-3H3,(H2,17,18,19,20,21,22);;/q;+1;-1
InChIKeyKEGHEZQPSKKDNU-UHFFFAOYSA-N
MW423.40 g/mol
LogP-1.53
Rot. Bonds7

About sodium;1-[2-(2-fluoroethoxy)-6-methylphenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea;hydride

sodium;1-[2-(2-fluoroethoxy)-6-methylphenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea;hydride (PubChem CID 173095459) has the molecular formula C15H19FN5NaO5S and a molecular weight of 423.40 g/mol. Its IUPAC name is sodium;1-[2-(2-fluoroethoxy)-6-methylphenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea;hydride.

Molecular Properties

Compound Namesodium;1-[2-(2-fluoroethoxy)-6-methylphenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea;hydride
PubChem CID173095459
Molecular FormulaC15H19FN5NaO5S
Molecular Weight423.40 g/mol
Exact Mass423.10
IUPAC Namesodium;1-[2-(2-fluoroethoxy)-6-methylphenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea;hydride
SMILESCOc1nc(C)nc(NC(=O)NS(=O)(=O)c2c(C)cccc2OCCF)n1.[H-].[Na+]
InChIInChI=1S/C15H18FN5O5S.Na.H/c1-9-5-4-6-11(26-8-7-16)12(9)27(23,24)21-14(22)19-13-17-10(2)18-15(20-13)25-3;;/h4-6H,7-8H2,1-3H3,(H2,17,18,19,20,21,22);;/q;+1;-1
InChIKeyKEGHEZQPSKKDNU-UHFFFAOYSA-N
XLogP-1.53
TPSA132.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.40
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze sodium;1-[2-(2-fluoroethoxy)-6-methylphenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea;hydride with MolForge

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Related Compounds

1-[2-(2-chloroethoxy)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
CID 173067641
1-(3-ethoxy-2-methoxyphenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
CID 70498319
1-[2-chloro-6-(1-fluoroethyl)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
CID 19912242
lithium;hydride;methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
CID 173024581
1-[[2-(2-fluoroethyl)-1,1-dioxo-3H-1,2-benzothiazol-7-yl]sulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
CID 14723388
CID 88679981
CID 88679981
4-ethyl-2-iodo-3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoic acid
CID 162034413
[2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]phenyl] N,N-dimethylsulfamate
CID 13473132
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
CID 13469890
1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfamoylurea
CID 13188538
1-[2-[(E)-but-2-enoxy]phenyl]sulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea
CID 13321801
1-(benzenesulfonyl)-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea
CID 14835177

Frequently Asked Questions

What is the IUPAC name of sodium;1-[2-(2-fluoroethoxy)-6-methylphenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea;hydride?
The IUPAC name of sodium;1-[2-(2-fluoroethoxy)-6-methylphenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea;hydride (CID 173095459) is sodium;1-[2-(2-fluoroethoxy)-6-methylphenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea;hydride.
What is the SMILES notation for sodium;1-[2-(2-fluoroethoxy)-6-methylphenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea;hydride?
The canonical SMILES for sodium;1-[2-(2-fluoroethoxy)-6-methylphenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea;hydride is COc1nc(C)nc(NC(=O)NS(=O)(=O)c2c(C)cccc2OCCF)n1.[H-].[Na+].
What is the InChIKey of sodium;1-[2-(2-fluoroethoxy)-6-methylphenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea;hydride?
The InChIKey is KEGHEZQPSKKDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O5S.Na.H/c1-9-5-4-6-11(26-8-7-16)12(9)27(23,24)21-14(22)19-13-17-10(2)18-15(20-13)25-3;;/h4-6H,7-8H2,1-3H3,(H2,17,18,19,20,21,22);;/q;+1;-1.
What are the key properties of sodium;1-[2-(2-fluoroethoxy)-6-methylphenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea;hydride?
sodium;1-[2-(2-fluoroethoxy)-6-methylphenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea;hydride has a molecular weight of 423.40 g/mol, XLogP of -1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-[2-(2-fluoroethoxy)-6-methylphenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea;hydride is sourced from PubChem (CID 173095459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).