1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(3,4-dichlorophenyl)urea

C17H16Cl3N3O4S — CID 3937536

IUPAC1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(3,4-dichlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C17H16Cl3N3O4S/c18-13-3-1-11(9-15(13)20)21-17(24)22-16-10-12(2-4-14(16)19)28(25,26)23-5-7-27-8-6-23/h1-4,9-10H,5-8H2,(H2,21,22,24)
InChIKeyGUQDGKYRLKUIGN-UHFFFAOYSA-N
MW464.76 g/mol
LogP4.31
Rot. Bonds4

About 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(3,4-dichlorophenyl)urea

1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(3,4-dichlorophenyl)urea (PubChem CID 3937536) has the molecular formula C17H16Cl3N3O4S and a molecular weight of 464.76 g/mol. Its IUPAC name is 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(3,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(3,4-dichlorophenyl)urea
PubChem CID3937536
Molecular FormulaC17H16Cl3N3O4S
Molecular Weight464.76 g/mol
Exact Mass462.99
IUPAC Name1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(3,4-dichlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C17H16Cl3N3O4S/c18-13-3-1-11(9-15(13)20)21-17(24)22-16-10-12(2-4-14(16)19)28(25,26)23-5-7-27-8-6-23/h1-4,9-10H,5-8H2,(H2,21,22,24)
InChIKeyGUQDGKYRLKUIGN-UHFFFAOYSA-N
XLogP4.31
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.76
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(3,4-dichlorophenyl)urea?
The IUPAC name of 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(3,4-dichlorophenyl)urea (CID 3937536) is 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(3,4-dichlorophenyl)urea.
What is the SMILES notation for 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(3,4-dichlorophenyl)urea?
The canonical SMILES for 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(3,4-dichlorophenyl)urea is O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(3,4-dichlorophenyl)urea?
The InChIKey is GUQDGKYRLKUIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3N3O4S/c18-13-3-1-11(9-15(13)20)21-17(24)22-16-10-12(2-4-14(16)19)28(25,26)23-5-7-27-8-6-23/h1-4,9-10H,5-8H2,(H2,21,22,24).
What are the key properties of 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(3,4-dichlorophenyl)urea?
1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(3,4-dichlorophenyl)urea has a molecular weight of 464.76 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(3,4-dichlorophenyl)urea is sourced from PubChem (CID 3937536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).