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

C24H21Cl4N5O5S — CID 3541124

IUPAC1-(3,4-dichlorophenyl)-3-[2-[(3,4-dichlorophenyl)carbamoylamino]-4-morpholin-4-ylsulfonylphenyl]urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H21Cl4N5O5S/c25-17-4-1-14(11-19(17)27)29-23(34)31-21-6-3-16(39(36,37)33-7-9-38-10-8-33)13-22(21)32-24(35)30-15-2-5-18(26)20(28)12-15/h1-6,11-13H,7-10H2,(H2,29,31,34)(H2,30,32,35)
InChIKeyUQWYKXVQGVXBOQ-UHFFFAOYSA-N
MW633.34 g/mol
LogP6.61
Rot. Bonds6

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

1-(3,4-dichlorophenyl)-3-[2-[(3,4-dichlorophenyl)carbamoylamino]-4-morpholin-4-ylsulfonylphenyl]urea (PubChem CID 3541124) has the molecular formula C24H21Cl4N5O5S and a molecular weight of 633.34 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[2-[(3,4-dichlorophenyl)carbamoylamino]-4-morpholin-4-ylsulfonylphenyl]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[2-[(3,4-dichlorophenyl)carbamoylamino]-4-morpholin-4-ylsulfonylphenyl]urea
PubChem CID3541124
Molecular FormulaC24H21Cl4N5O5S
Molecular Weight633.34 g/mol
Exact Mass631.00
IUPAC Name1-(3,4-dichlorophenyl)-3-[2-[(3,4-dichlorophenyl)carbamoylamino]-4-morpholin-4-ylsulfonylphenyl]urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H21Cl4N5O5S/c25-17-4-1-14(11-19(17)27)29-23(34)31-21-6-3-16(39(36,37)33-7-9-38-10-8-33)13-22(21)32-24(35)30-15-2-5-18(26)20(28)12-15/h1-6,11-13H,7-10H2,(H2,29,31,34)(H2,30,32,35)
InChIKeyUQWYKXVQGVXBOQ-UHFFFAOYSA-N
XLogP6.61
TPSA128.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.34
LogP ≤ 56.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-dichlorophenyl)-3-[2-[(3,4-dichlorophenyl)carbamoylamino]-4-morpholin-4-ylsulfonylphenyl]urea with MolForge

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Related Compounds

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CID 108891884
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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[2-[(3,4-dichlorophenyl)carbamoylamino]-4-morpholin-4-ylsulfonylphenyl]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[2-[(3,4-dichlorophenyl)carbamoylamino]-4-morpholin-4-ylsulfonylphenyl]urea (CID 3541124) is 1-(3,4-dichlorophenyl)-3-[2-[(3,4-dichlorophenyl)carbamoylamino]-4-morpholin-4-ylsulfonylphenyl]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[2-[(3,4-dichlorophenyl)carbamoylamino]-4-morpholin-4-ylsulfonylphenyl]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[2-[(3,4-dichlorophenyl)carbamoylamino]-4-morpholin-4-ylsulfonylphenyl]urea is O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[2-[(3,4-dichlorophenyl)carbamoylamino]-4-morpholin-4-ylsulfonylphenyl]urea?
The InChIKey is UQWYKXVQGVXBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl4N5O5S/c25-17-4-1-14(11-19(17)27)29-23(34)31-21-6-3-16(39(36,37)33-7-9-38-10-8-33)13-22(21)32-24(35)30-15-2-5-18(26)20(28)12-15/h1-6,11-13H,7-10H2,(H2,29,31,34)(H2,30,32,35).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[2-[(3,4-dichlorophenyl)carbamoylamino]-4-morpholin-4-ylsulfonylphenyl]urea?
1-(3,4-dichlorophenyl)-3-[2-[(3,4-dichlorophenyl)carbamoylamino]-4-morpholin-4-ylsulfonylphenyl]urea has a molecular weight of 633.34 g/mol, XLogP of 6.61, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[2-[(3,4-dichlorophenyl)carbamoylamino]-4-morpholin-4-ylsulfonylphenyl]urea is sourced from PubChem (CID 3541124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).