1-(2,3-dichlorophenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea

C17H17Cl2N3O4S — CID 2958113

IUPAC1-(2,3-dichlorophenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C17H17Cl2N3O4S/c18-14-5-2-6-15(16(14)19)21-17(23)20-12-3-1-4-13(11-12)27(24,25)22-7-9-26-10-8-22/h1-6,11H,7-10H2,(H2,20,21,23)
InChIKeyILKYZGIVHAWJKD-UHFFFAOYSA-N
MW430.31 g/mol
LogP3.66
Rot. Bonds4

About 1-(2,3-dichlorophenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea

1-(2,3-dichlorophenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea (PubChem CID 2958113) has the molecular formula C17H17Cl2N3O4S and a molecular weight of 430.31 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea
PubChem CID2958113
Molecular FormulaC17H17Cl2N3O4S
Molecular Weight430.31 g/mol
Exact Mass429.03
IUPAC Name1-(2,3-dichlorophenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C17H17Cl2N3O4S/c18-14-5-2-6-15(16(14)19)21-17(23)20-12-3-1-4-13(11-12)27(24,25)22-7-9-26-10-8-22/h1-6,11H,7-10H2,(H2,20,21,23)
InChIKeyILKYZGIVHAWJKD-UHFFFAOYSA-N
XLogP3.66
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.31
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea (CID 2958113) is 1-(2,3-dichlorophenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea is O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea?
The InChIKey is ILKYZGIVHAWJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O4S/c18-14-5-2-6-15(16(14)19)21-17(23)20-12-3-1-4-13(11-12)27(24,25)22-7-9-26-10-8-22/h1-6,11H,7-10H2,(H2,20,21,23).
What are the key properties of 1-(2,3-dichlorophenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea?
1-(2,3-dichlorophenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea has a molecular weight of 430.31 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea is sourced from PubChem (CID 2958113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).