1-(2-chlorophenyl)sulfonyl-3-(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)urea

C13H14ClN5O4S — CID 1376682

IUPAC1-(2-chlorophenyl)sulfonyl-3-(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)urea
SMILESCCOc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1
InChIInChI=1S/C13H14ClN5O4S/c1-3-23-13-16-8(2)15-11(18-13)17-12(20)19-24(21,22)10-7-5-4-6-9(10)14/h4-7H,3H2,1-2H3,(H2,15,16,17,18,19,20)
InChIKeyYHVRQPXORKMKEG-UHFFFAOYSA-N
MW371.81 g/mol
LogP1.74
Rot. Bonds5

About 1-(2-chlorophenyl)sulfonyl-3-(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)urea

1-(2-chlorophenyl)sulfonyl-3-(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)urea (PubChem CID 1376682) has the molecular formula C13H14ClN5O4S and a molecular weight of 371.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-3-(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-3-(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)urea
PubChem CID1376682
Molecular FormulaC13H14ClN5O4S
Molecular Weight371.81 g/mol
Exact Mass371.05
IUPAC Name1-(2-chlorophenyl)sulfonyl-3-(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)urea
SMILESCCOc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1
InChIInChI=1S/C13H14ClN5O4S/c1-3-23-13-16-8(2)15-11(18-13)17-12(20)19-24(21,22)10-7-5-4-6-9(10)14/h4-7H,3H2,1-2H3,(H2,15,16,17,18,19,20)
InChIKeyYHVRQPXORKMKEG-UHFFFAOYSA-N
XLogP1.74
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.81
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-3-(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)urea?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-3-(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)urea (CID 1376682) is 1-(2-chlorophenyl)sulfonyl-3-(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)urea.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-3-(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)urea?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-3-(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)urea is CCOc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-3-(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)urea?
The InChIKey is YHVRQPXORKMKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O4S/c1-3-23-13-16-8(2)15-11(18-13)17-12(20)19-24(21,22)10-7-5-4-6-9(10)14/h4-7H,3H2,1-2H3,(H2,15,16,17,18,19,20).
What are the key properties of 1-(2-chlorophenyl)sulfonyl-3-(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)urea?
1-(2-chlorophenyl)sulfonyl-3-(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)urea has a molecular weight of 371.81 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfonyl-3-(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)urea is sourced from PubChem (CID 1376682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).