1-(3,5-dichloro-2-hydroxyphenyl)-1-sulfanyl-3-[[4-(trifluoromethyl)phenyl]methyl]urea

C15H11Cl2F3N2O2S — CID 87655866

IUPAC1-(3,5-dichloro-2-hydroxyphenyl)-1-sulfanyl-3-[[4-(trifluoromethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)N(S)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H11Cl2F3N2O2S/c16-10-5-11(17)13(23)12(6-10)22(25)14(24)21-7-8-1-3-9(4-2-8)15(18,19)20/h1-6,23,25H,7H2,(H,21,24)
InChIKeyUDVVTAZIUXLUHB-UHFFFAOYSA-N
MW411.23 g/mol
LogP5.28
Rot. Bonds3

About 1-(3,5-dichloro-2-hydroxyphenyl)-1-sulfanyl-3-[[4-(trifluoromethyl)phenyl]methyl]urea

1-(3,5-dichloro-2-hydroxyphenyl)-1-sulfanyl-3-[[4-(trifluoromethyl)phenyl]methyl]urea (PubChem CID 87655866) has the molecular formula C15H11Cl2F3N2O2S and a molecular weight of 411.23 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-hydroxyphenyl)-1-sulfanyl-3-[[4-(trifluoromethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(3,5-dichloro-2-hydroxyphenyl)-1-sulfanyl-3-[[4-(trifluoromethyl)phenyl]methyl]urea
PubChem CID87655866
Molecular FormulaC15H11Cl2F3N2O2S
Molecular Weight411.23 g/mol
Exact Mass409.99
IUPAC Name1-(3,5-dichloro-2-hydroxyphenyl)-1-sulfanyl-3-[[4-(trifluoromethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)N(S)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H11Cl2F3N2O2S/c16-10-5-11(17)13(23)12(6-10)22(25)14(24)21-7-8-1-3-9(4-2-8)15(18,19)20/h1-6,23,25H,7H2,(H,21,24)
InChIKeyUDVVTAZIUXLUHB-UHFFFAOYSA-N
XLogP5.28
TPSA52.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.23
LogP ≤ 55.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-(3,5-dichloro-2-hydroxyphenyl)-1-sulfanyl-3-[[4-(trifluoromethyl)phenyl]methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-3-fluoro-2-hydroxyphenyl)-1-sulfanyl-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 87656454
1-(3,5-dichloro-2-hydroxyphenyl)-3-pentyl-1-sulfanylurea
CID 87655740
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(4-methylphenyl)methyl]-1-sulfanylurea
CID 87507304
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(2,4-dichlorophenyl)methyl]-1-sulfanylurea
CID 87616234
1-(5-chloro-2-hydroxyphenyl)-1-sulfanyl-3-[4-(trifluoromethyl)phenyl]urea
CID 87656350
N-[(3,5-dichlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 61037564
5-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 25403062
N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 137104459
1-(5-chloro-2-hydroxyphenyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]-1-sulfanylurea
CID 87443599
2-[methyl-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]amino]acetic acid
CID 62879277
N-[(4-chlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 29042343
ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 144998983

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-hydroxyphenyl)-1-sulfanyl-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
The IUPAC name of 1-(3,5-dichloro-2-hydroxyphenyl)-1-sulfanyl-3-[[4-(trifluoromethyl)phenyl]methyl]urea (CID 87655866) is 1-(3,5-dichloro-2-hydroxyphenyl)-1-sulfanyl-3-[[4-(trifluoromethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(3,5-dichloro-2-hydroxyphenyl)-1-sulfanyl-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(3,5-dichloro-2-hydroxyphenyl)-1-sulfanyl-3-[[4-(trifluoromethyl)phenyl]methyl]urea is O=C(NCc1ccc(C(F)(F)F)cc1)N(S)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 1-(3,5-dichloro-2-hydroxyphenyl)-1-sulfanyl-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
The InChIKey is UDVVTAZIUXLUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F3N2O2S/c16-10-5-11(17)13(23)12(6-10)22(25)14(24)21-7-8-1-3-9(4-2-8)15(18,19)20/h1-6,23,25H,7H2,(H,21,24).
What are the key properties of 1-(3,5-dichloro-2-hydroxyphenyl)-1-sulfanyl-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
1-(3,5-dichloro-2-hydroxyphenyl)-1-sulfanyl-3-[[4-(trifluoromethyl)phenyl]methyl]urea has a molecular weight of 411.23 g/mol, XLogP of 5.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-hydroxyphenyl)-1-sulfanyl-3-[[4-(trifluoromethyl)phenyl]methyl]urea is sourced from PubChem (CID 87655866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).