1-(3,5-dichloro-2-hydroxyphenyl)-3-[(2-methylphenyl)methyl]-1-sulfanylurea

C15H14Cl2N2O2S — CID 87654928

IUPAC1-(3,5-dichloro-2-hydroxyphenyl)-3-[(2-methylphenyl)methyl]-1-sulfanylurea
SMILESCc1ccccc1CNC(=O)N(S)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H14Cl2N2O2S/c1-9-4-2-3-5-10(9)8-18-15(21)19(22)13-7-11(16)6-12(17)14(13)20/h2-7,20,22H,8H2,1H3,(H,18,21)
InChIKeyUVENQZZZQPVVIG-UHFFFAOYSA-N
MW357.26 g/mol
LogP4.57
Rot. Bonds3

About 1-(3,5-dichloro-2-hydroxyphenyl)-3-[(2-methylphenyl)methyl]-1-sulfanylurea

1-(3,5-dichloro-2-hydroxyphenyl)-3-[(2-methylphenyl)methyl]-1-sulfanylurea (PubChem CID 87654928) has the molecular formula C15H14Cl2N2O2S and a molecular weight of 357.26 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-hydroxyphenyl)-3-[(2-methylphenyl)methyl]-1-sulfanylurea.

Molecular Properties

Compound Name1-(3,5-dichloro-2-hydroxyphenyl)-3-[(2-methylphenyl)methyl]-1-sulfanylurea
PubChem CID87654928
Molecular FormulaC15H14Cl2N2O2S
Molecular Weight357.26 g/mol
Exact Mass356.02
IUPAC Name1-(3,5-dichloro-2-hydroxyphenyl)-3-[(2-methylphenyl)methyl]-1-sulfanylurea
SMILESCc1ccccc1CNC(=O)N(S)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H14Cl2N2O2S/c1-9-4-2-3-5-10(9)8-18-15(21)19(22)13-7-11(16)6-12(17)14(13)20/h2-7,20,22H,8H2,1H3,(H,18,21)
InChIKeyUVENQZZZQPVVIG-UHFFFAOYSA-N
XLogP4.57
TPSA52.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.26
LogP ≤ 54.57
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)-3-[(2-methylphenyl)methyl]-1-sulfanylurea 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-(3-chloro-4-hydroxyphenyl)-3-[(2-methylphenyl)methyl]-1-sulfanylurea
CID 87657028
1-(3-fluoro-2-hydroxyphenyl)-3-[(2-methylphenyl)methyl]-1-sulfanylurea
CID 87655528
1-(3,5-dichloro-2-hydroxyphenyl)-1-sulfanyl-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 87655866
1-(3,5-dichloro-2-hydroxyphenyl)-3-pentyl-1-sulfanylurea
CID 87655740
2-chloro-5-hydroxy-N-[(2-methylphenyl)methyl]benzamide
CID 106501455
3-[(2-methylphenyl)methyl]-1,1-bis(2-methylpropyl)urea
CID 108897239
4-chloro-2-hydroxy-N-[(2-methylphenyl)methyl]benzamide
CID 54941047
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]butanamide
CID 132668645
1-[(4-chlorophenyl)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108897128
1-N-(2,5-dichlorophenyl)-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135271
1-[(2,4-dichlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108881154
N'-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945452

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-hydroxyphenyl)-3-[(2-methylphenyl)methyl]-1-sulfanylurea?
The IUPAC name of 1-(3,5-dichloro-2-hydroxyphenyl)-3-[(2-methylphenyl)methyl]-1-sulfanylurea (CID 87654928) is 1-(3,5-dichloro-2-hydroxyphenyl)-3-[(2-methylphenyl)methyl]-1-sulfanylurea.
What is the SMILES notation for 1-(3,5-dichloro-2-hydroxyphenyl)-3-[(2-methylphenyl)methyl]-1-sulfanylurea?
The canonical SMILES for 1-(3,5-dichloro-2-hydroxyphenyl)-3-[(2-methylphenyl)methyl]-1-sulfanylurea is Cc1ccccc1CNC(=O)N(S)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 1-(3,5-dichloro-2-hydroxyphenyl)-3-[(2-methylphenyl)methyl]-1-sulfanylurea?
The InChIKey is UVENQZZZQPVVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2S/c1-9-4-2-3-5-10(9)8-18-15(21)19(22)13-7-11(16)6-12(17)14(13)20/h2-7,20,22H,8H2,1H3,(H,18,21).
What are the key properties of 1-(3,5-dichloro-2-hydroxyphenyl)-3-[(2-methylphenyl)methyl]-1-sulfanylurea?
1-(3,5-dichloro-2-hydroxyphenyl)-3-[(2-methylphenyl)methyl]-1-sulfanylurea has a molecular weight of 357.26 g/mol, XLogP of 4.57, 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)-3-[(2-methylphenyl)methyl]-1-sulfanylurea is sourced from PubChem (CID 87654928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).