1-(4-morpholin-4-ylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]urea

C18H18F3N3O4S — CID 24894571

IUPAC1-(4-morpholin-4-ylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H18F3N3O4S/c19-18(20,21)13-1-3-14(4-2-13)22-17(25)23-15-5-7-16(8-6-15)29(26,27)24-9-11-28-12-10-24/h1-8H,9-12H2,(H2,22,23,25)
InChIKeyWHBIVIJHDUCCJP-UHFFFAOYSA-N
MW429.42 g/mol
LogP3.37
Rot. Bonds4

About 1-(4-morpholin-4-ylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]urea

1-(4-morpholin-4-ylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 24894571) has the molecular formula C18H18F3N3O4S and a molecular weight of 429.42 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-morpholin-4-ylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID24894571
Molecular FormulaC18H18F3N3O4S
Molecular Weight429.42 g/mol
Exact Mass429.10
IUPAC Name1-(4-morpholin-4-ylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H18F3N3O4S/c19-18(20,21)13-1-3-14(4-2-13)22-17(25)23-15-5-7-16(8-6-15)29(26,27)24-9-11-28-12-10-24/h1-8H,9-12H2,(H2,22,23,25)
InChIKeyWHBIVIJHDUCCJP-UHFFFAOYSA-N
XLogP3.37
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.42
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-ylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(4-morpholin-4-ylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]urea (CID 24894571) is 1-(4-morpholin-4-ylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(4-morpholin-4-ylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(4-morpholin-4-ylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 1-(4-morpholin-4-ylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is WHBIVIJHDUCCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O4S/c19-18(20,21)13-1-3-14(4-2-13)22-17(25)23-15-5-7-16(8-6-15)29(26,27)24-9-11-28-12-10-24/h1-8H,9-12H2,(H2,22,23,25).
What are the key properties of 1-(4-morpholin-4-ylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]urea?
1-(4-morpholin-4-ylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 429.42 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 24894571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).