1-(2-chloro-6-fluorophenyl)-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)urea

C17H16Cl2FN3O4S — CID 108896496

IUPAC1-(2-chloro-6-fluorophenyl)-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)urea
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)Nc1c(F)cccc1Cl
InChIInChI=1S/C17H16Cl2FN3O4S/c18-12-5-4-11(28(25,26)23-6-8-27-9-7-23)10-15(12)21-17(24)22-16-13(19)2-1-3-14(16)20/h1-5,10H,6-9H2,(H2,21,22,24)
InChIKeyYFJHTIYOVOCCNH-UHFFFAOYSA-N
MW448.30 g/mol
LogP3.80
Rot. Bonds4

About 1-(2-chloro-6-fluorophenyl)-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)urea

1-(2-chloro-6-fluorophenyl)-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)urea (PubChem CID 108896496) has the molecular formula C17H16Cl2FN3O4S and a molecular weight of 448.30 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)urea
PubChem CID108896496
Molecular FormulaC17H16Cl2FN3O4S
Molecular Weight448.30 g/mol
Exact Mass447.02
IUPAC Name1-(2-chloro-6-fluorophenyl)-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)urea
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)Nc1c(F)cccc1Cl
InChIInChI=1S/C17H16Cl2FN3O4S/c18-12-5-4-11(28(25,26)23-6-8-27-9-7-23)10-15(12)21-17(24)22-16-13(19)2-1-3-14(16)20/h1-5,10H,6-9H2,(H2,21,22,24)
InChIKeyYFJHTIYOVOCCNH-UHFFFAOYSA-N
XLogP3.80
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.30
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)urea?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)urea (CID 108896496) is 1-(2-chloro-6-fluorophenyl)-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)urea.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)urea?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)urea is O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)Nc1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)urea?
The InChIKey is YFJHTIYOVOCCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2FN3O4S/c18-12-5-4-11(28(25,26)23-6-8-27-9-7-23)10-15(12)21-17(24)22-16-13(19)2-1-3-14(16)20/h1-5,10H,6-9H2,(H2,21,22,24).
What are the key properties of 1-(2-chloro-6-fluorophenyl)-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)urea?
1-(2-chloro-6-fluorophenyl)-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)urea has a molecular weight of 448.30 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)urea is sourced from PubChem (CID 108896496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).