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

C17H17Cl2N3O3S2 — CID 19680377

IUPAC1-(2,4-dichlorophenyl)-3-(3-morpholin-4-ylsulfonylphenyl)thiourea
SMILESO=S(=O)(c1cccc(NC(=S)Nc2ccc(Cl)cc2Cl)c1)N1CCOCC1
InChIInChI=1S/C17H17Cl2N3O3S2/c18-12-4-5-16(15(19)10-12)21-17(26)20-13-2-1-3-14(11-13)27(23,24)22-6-8-25-9-7-22/h1-5,10-11H,6-9H2,(H2,20,21,26)
InChIKeyGHJHVMFCUAKKAE-UHFFFAOYSA-N
MW446.38 g/mol
LogP3.82
Rot. Bonds4

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

1-(2,4-dichlorophenyl)-3-(3-morpholin-4-ylsulfonylphenyl)thiourea (PubChem CID 19680377) has the molecular formula C17H17Cl2N3O3S2 and a molecular weight of 446.38 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(3-morpholin-4-ylsulfonylphenyl)thiourea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(3-morpholin-4-ylsulfonylphenyl)thiourea
PubChem CID19680377
Molecular FormulaC17H17Cl2N3O3S2
Molecular Weight446.38 g/mol
Exact Mass445.01
IUPAC Name1-(2,4-dichlorophenyl)-3-(3-morpholin-4-ylsulfonylphenyl)thiourea
SMILESO=S(=O)(c1cccc(NC(=S)Nc2ccc(Cl)cc2Cl)c1)N1CCOCC1
InChIInChI=1S/C17H17Cl2N3O3S2/c18-12-4-5-16(15(19)10-12)21-17(26)20-13-2-1-3-14(11-13)27(23,24)22-6-8-25-9-7-22/h1-5,10-11H,6-9H2,(H2,20,21,26)
InChIKeyGHJHVMFCUAKKAE-UHFFFAOYSA-N
XLogP3.82
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.38
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-(3-morpholin-4-ylsulfonylphenyl)thiourea
CID 19680404
4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 7759044
3,5-dichloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4800329
1-butyl-3-(3-morpholin-4-ylsulfonylphenyl)thiourea
CID 19680401
1-(3-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea
CID 19680416
1-(5-chloro-2-nitrophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 23828394
1-[4-[(2R)-butan-2-yl]phenyl]-3-(3-morpholin-4-ylsulfonylphenyl)thiourea
CID 27087813
2-chloro-4,5-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4803040
N-(2,4-dichlorophenyl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide
CID 43853480
2-(4-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3424032
3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4799420
ethyl 4-[(3-morpholin-4-ylsulfonylphenyl)carbamothioylamino]benzoate
CID 19680395

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(3-morpholin-4-ylsulfonylphenyl)thiourea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(3-morpholin-4-ylsulfonylphenyl)thiourea (CID 19680377) is 1-(2,4-dichlorophenyl)-3-(3-morpholin-4-ylsulfonylphenyl)thiourea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(3-morpholin-4-ylsulfonylphenyl)thiourea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(3-morpholin-4-ylsulfonylphenyl)thiourea is O=S(=O)(c1cccc(NC(=S)Nc2ccc(Cl)cc2Cl)c1)N1CCOCC1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(3-morpholin-4-ylsulfonylphenyl)thiourea?
The InChIKey is GHJHVMFCUAKKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O3S2/c18-12-4-5-16(15(19)10-12)21-17(26)20-13-2-1-3-14(11-13)27(23,24)22-6-8-25-9-7-22/h1-5,10-11H,6-9H2,(H2,20,21,26).
What are the key properties of 1-(2,4-dichlorophenyl)-3-(3-morpholin-4-ylsulfonylphenyl)thiourea?
1-(2,4-dichlorophenyl)-3-(3-morpholin-4-ylsulfonylphenyl)thiourea has a molecular weight of 446.38 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-(3-morpholin-4-ylsulfonylphenyl)thiourea is sourced from PubChem (CID 19680377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).