1-[2-chloro-6-(2-fluoroethyl)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea

C14H15ClFN5O4S — CID 67825201

IUPAC1-[2-chloro-6-(2-fluoroethyl)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
SMILESCOc1nc(C)nc(NC(=O)NS(=O)(=O)c2c(Cl)cccc2CCF)n1
InChIInChI=1S/C14H15ClFN5O4S/c1-8-17-12(20-14(18-8)25-2)19-13(22)21-26(23,24)11-9(6-7-16)4-3-5-10(11)15/h3-5H,6-7H2,1-2H3,(H2,17,18,19,20,21,22)
InChIKeyVJJDRVWBHZFKLP-UHFFFAOYSA-N
MW403.82 g/mol
LogP1.86
Rot. Bonds6

About 1-[2-chloro-6-(2-fluoroethyl)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea

1-[2-chloro-6-(2-fluoroethyl)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea (PubChem CID 67825201) has the molecular formula C14H15ClFN5O4S and a molecular weight of 403.82 g/mol. Its IUPAC name is 1-[2-chloro-6-(2-fluoroethyl)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea.

Molecular Properties

Compound Name1-[2-chloro-6-(2-fluoroethyl)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
PubChem CID67825201
Molecular FormulaC14H15ClFN5O4S
Molecular Weight403.82 g/mol
Exact Mass403.05
IUPAC Name1-[2-chloro-6-(2-fluoroethyl)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
SMILESCOc1nc(C)nc(NC(=O)NS(=O)(=O)c2c(Cl)cccc2CCF)n1
InChIInChI=1S/C14H15ClFN5O4S/c1-8-17-12(20-14(18-8)25-2)19-13(22)21-26(23,24)11-9(6-7-16)4-3-5-10(11)15/h3-5H,6-7H2,1-2H3,(H2,17,18,19,20,21,22)
InChIKeyVJJDRVWBHZFKLP-UHFFFAOYSA-N
XLogP1.86
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.82
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-chloro-6-(2-fluoroethyl)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea with MolForge

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Related Compounds

1-[2-chloro-6-(1-fluoroethyl)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
CID 19912242
sodium;1-[2-(2-fluoroethoxy)-6-methylphenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea;hydride
CID 173095459
1-[2-chloro-6-(3-hydroxypropyl)phenyl]sulfonyl-3-(4,6-dimethylpyrimidin-2-yl)urea
CID 67908509
4-ethyl-2-iodo-3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoic acid
CID 162034413
1-(2-chlorophenyl)sulfonyl-3-(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)urea
CID 1376682
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
methyl 4-iodo-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]-3-methylbenzoate
CID 142673735
1-(2-chloro-5-propan-2-ylphenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
CID 139201725
lithium;hydride;methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
CID 173024581
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(2-fluoroethyl)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea?
The IUPAC name of 1-[2-chloro-6-(2-fluoroethyl)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea (CID 67825201) is 1-[2-chloro-6-(2-fluoroethyl)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea.
What is the SMILES notation for 1-[2-chloro-6-(2-fluoroethyl)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea?
The canonical SMILES for 1-[2-chloro-6-(2-fluoroethyl)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea is COc1nc(C)nc(NC(=O)NS(=O)(=O)c2c(Cl)cccc2CCF)n1.
What is the InChIKey of 1-[2-chloro-6-(2-fluoroethyl)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea?
The InChIKey is VJJDRVWBHZFKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN5O4S/c1-8-17-12(20-14(18-8)25-2)19-13(22)21-26(23,24)11-9(6-7-16)4-3-5-10(11)15/h3-5H,6-7H2,1-2H3,(H2,17,18,19,20,21,22).
What are the key properties of 1-[2-chloro-6-(2-fluoroethyl)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea?
1-[2-chloro-6-(2-fluoroethyl)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea has a molecular weight of 403.82 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(2-fluoroethyl)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea is sourced from PubChem (CID 67825201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).