3,5-dichloro-N-[(2-hydroxyphenyl)carbamothioyl]benzamide

C14H10Cl2N2O2S — CID 17133732

IUPAC3,5-dichloro-N-[(2-hydroxyphenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccccc1O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H10Cl2N2O2S/c15-9-5-8(6-10(16)7-9)13(20)18-14(21)17-11-3-1-2-4-12(11)19/h1-7,19H,(H2,17,18,20,21)
InChIKeyINOSTHKRJJOJLW-UHFFFAOYSA-N
MW341.22 g/mol
LogP3.83
Rot. Bonds2

About 3,5-dichloro-N-[(2-hydroxyphenyl)carbamothioyl]benzamide

3,5-dichloro-N-[(2-hydroxyphenyl)carbamothioyl]benzamide (PubChem CID 17133732) has the molecular formula C14H10Cl2N2O2S and a molecular weight of 341.22 g/mol. Its IUPAC name is 3,5-dichloro-N-[(2-hydroxyphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[(2-hydroxyphenyl)carbamothioyl]benzamide
PubChem CID17133732
Molecular FormulaC14H10Cl2N2O2S
Molecular Weight341.22 g/mol
Exact Mass339.98
IUPAC Name3,5-dichloro-N-[(2-hydroxyphenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccccc1O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H10Cl2N2O2S/c15-9-5-8(6-10(16)7-9)13(20)18-14(21)17-11-3-1-2-4-12(11)19/h1-7,19H,(H2,17,18,20,21)
InChIKeyINOSTHKRJJOJLW-UHFFFAOYSA-N
XLogP3.83
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-N-[(2-chlorophenyl)carbamothioyl]pyridine-4-carboxamide
CID 2774104
3,5-dichloro-N-[[2-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 17133828
3-chloro-N-[(2-hydroxy-4-methylphenyl)carbamothioyl]benzamide
CID 884998
3,5-dichloro-N-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide
CID 17186892
N-[(2-bromo-4-methylphenyl)carbamothioyl]-3,5-dichlorobenzamide
CID 54784823
3-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide
CID 2279775
2-chloro-N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]benzamide
CID 4942210
3-bromo-N-[(2-hydroxyphenyl)carbamothioyl]-4-methoxybenzamide
CID 3261819
3-chloro-N-[[2-(hydroxymethyl)phenyl]carbamothioyl]benzamide
CID 56697396
N-[(2-hydroxyphenyl)carbamothioyl]acetamide
CID 13109787
2-(4-chlorophenyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide
CID 817114
N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]-3-fluorobenzamide
CID 17099498

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(2-hydroxyphenyl)carbamothioyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[(2-hydroxyphenyl)carbamothioyl]benzamide (CID 17133732) is 3,5-dichloro-N-[(2-hydroxyphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[(2-hydroxyphenyl)carbamothioyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[(2-hydroxyphenyl)carbamothioyl]benzamide is O=C(NC(=S)Nc1ccccc1O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[(2-hydroxyphenyl)carbamothioyl]benzamide?
The InChIKey is INOSTHKRJJOJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O2S/c15-9-5-8(6-10(16)7-9)13(20)18-14(21)17-11-3-1-2-4-12(11)19/h1-7,19H,(H2,17,18,20,21).
What are the key properties of 3,5-dichloro-N-[(2-hydroxyphenyl)carbamothioyl]benzamide?
3,5-dichloro-N-[(2-hydroxyphenyl)carbamothioyl]benzamide has a molecular weight of 341.22 g/mol, XLogP of 3.83, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(2-hydroxyphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 17133732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).