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

C18H16ClN5O4S — CID 1263282

IUPAC1-(3-chlorophenyl)sulfonyl-3-(4-ethoxy-6-phenyl-1,3,5-triazin-2-yl)urea
SMILESCCOc1nc(NC(=O)NS(=O)(=O)c2cccc(Cl)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H16ClN5O4S/c1-2-28-18-21-15(12-7-4-3-5-8-12)20-16(23-18)22-17(25)24-29(26,27)14-10-6-9-13(19)11-14/h3-11H,2H2,1H3,(H2,20,21,22,23,24,25)
InChIKeyKHRPTKLPUXQSDU-UHFFFAOYSA-N
MW433.88 g/mol
LogP3.10
Rot. Bonds6

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

1-(3-chlorophenyl)sulfonyl-3-(4-ethoxy-6-phenyl-1,3,5-triazin-2-yl)urea (PubChem CID 1263282) has the molecular formula C18H16ClN5O4S and a molecular weight of 433.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonyl-3-(4-ethoxy-6-phenyl-1,3,5-triazin-2-yl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonyl-3-(4-ethoxy-6-phenyl-1,3,5-triazin-2-yl)urea
PubChem CID1263282
Molecular FormulaC18H16ClN5O4S
Molecular Weight433.88 g/mol
Exact Mass433.06
IUPAC Name1-(3-chlorophenyl)sulfonyl-3-(4-ethoxy-6-phenyl-1,3,5-triazin-2-yl)urea
SMILESCCOc1nc(NC(=O)NS(=O)(=O)c2cccc(Cl)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H16ClN5O4S/c1-2-28-18-21-15(12-7-4-3-5-8-12)20-16(23-18)22-17(25)24-29(26,27)14-10-6-9-13(19)11-14/h3-11H,2H2,1H3,(H2,20,21,22,23,24,25)
InChIKeyKHRPTKLPUXQSDU-UHFFFAOYSA-N
XLogP3.10
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.88
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-chlorophenyl)sulfonyl-3-(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)urea
CID 1376682
1,3-bis[(3-chlorophenyl)sulfonyl]urea
CID 155928665
1-(benzenesulfonyl)-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea
CID 14835177
1-(benzenesulfonyl)-3-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)urea
CID 88777457
methyl 2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
CID 146679051
1-[4-bromo-6-[(3-chlorophenyl)sulfonylcarbamoylamino]-2-pyridinyl]-3-(3-chlorophenyl)sulfonylurea
CID 42630115
2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]terephthalic acid
CID 67921995
1-(benzenesulfonyl)-5-(3-chlorophenyl)-3-ethoxy-1,2,4-triazole
CID 42730228
1-(3-chlorophenyl)sulfonyl-3-[2-[2-[(3-chlorophenyl)sulfonylcarbamoylamino]ethoxy]ethyl]urea
CID 44587806
1-(5-chloro-2-ethoxyphenyl)sulfonyl-3-phenylurea
CID 118729548
(3-chlorophenyl)sulfonylurea
CID 117060605
3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)benzamide
CID 122355868

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonyl-3-(4-ethoxy-6-phenyl-1,3,5-triazin-2-yl)urea?
The IUPAC name of 1-(3-chlorophenyl)sulfonyl-3-(4-ethoxy-6-phenyl-1,3,5-triazin-2-yl)urea (CID 1263282) is 1-(3-chlorophenyl)sulfonyl-3-(4-ethoxy-6-phenyl-1,3,5-triazin-2-yl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonyl-3-(4-ethoxy-6-phenyl-1,3,5-triazin-2-yl)urea?
The canonical SMILES for 1-(3-chlorophenyl)sulfonyl-3-(4-ethoxy-6-phenyl-1,3,5-triazin-2-yl)urea is CCOc1nc(NC(=O)NS(=O)(=O)c2cccc(Cl)c2)nc(-c2ccccc2)n1.
What is the InChIKey of 1-(3-chlorophenyl)sulfonyl-3-(4-ethoxy-6-phenyl-1,3,5-triazin-2-yl)urea?
The InChIKey is KHRPTKLPUXQSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O4S/c1-2-28-18-21-15(12-7-4-3-5-8-12)20-16(23-18)22-17(25)24-29(26,27)14-10-6-9-13(19)11-14/h3-11H,2H2,1H3,(H2,20,21,22,23,24,25).
What are the key properties of 1-(3-chlorophenyl)sulfonyl-3-(4-ethoxy-6-phenyl-1,3,5-triazin-2-yl)urea?
1-(3-chlorophenyl)sulfonyl-3-(4-ethoxy-6-phenyl-1,3,5-triazin-2-yl)urea has a molecular weight of 433.88 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfonyl-3-(4-ethoxy-6-phenyl-1,3,5-triazin-2-yl)urea is sourced from PubChem (CID 1263282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).