1-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenylurea

C17H18ClN3O4S — CID 5128497

IUPAC1-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H18ClN3O4S/c18-15-7-6-14(20-17(22)19-13-4-2-1-3-5-13)12-16(15)26(23,24)21-8-10-25-11-9-21/h1-7,12H,8-11H2,(H2,19,20,22)
InChIKeyRKAXFNHIHLETJN-UHFFFAOYSA-N
MW395.87 g/mol
LogP3.00
Rot. Bonds4

About 1-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenylurea

1-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenylurea (PubChem CID 5128497) has the molecular formula C17H18ClN3O4S and a molecular weight of 395.87 g/mol. Its IUPAC name is 1-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenylurea.

Molecular Properties

Compound Name1-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenylurea
PubChem CID5128497
Molecular FormulaC17H18ClN3O4S
Molecular Weight395.87 g/mol
Exact Mass395.07
IUPAC Name1-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H18ClN3O4S/c18-15-7-6-14(20-17(22)19-13-4-2-1-3-5-13)12-16(15)26(23,24)21-8-10-25-11-9-21/h1-7,12H,8-11H2,(H2,19,20,22)
InChIKeyRKAXFNHIHLETJN-UHFFFAOYSA-N
XLogP3.00
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.87
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenylurea?
The IUPAC name of 1-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenylurea (CID 5128497) is 1-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenylurea.
What is the SMILES notation for 1-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenylurea?
The canonical SMILES for 1-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 1-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenylurea?
The InChIKey is RKAXFNHIHLETJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O4S/c18-15-7-6-14(20-17(22)19-13-4-2-1-3-5-13)12-16(15)26(23,24)21-8-10-25-11-9-21/h1-7,12H,8-11H2,(H2,19,20,22).
What are the key properties of 1-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenylurea?
1-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenylurea has a molecular weight of 395.87 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenylurea is sourced from PubChem (CID 5128497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).