N-(3,5-dichloro-2-hydroxyphenyl)thiolane-3-carboxamide

C11H11Cl2NO2S — CID 104625878

IUPACN-(3,5-dichloro-2-hydroxyphenyl)thiolane-3-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1O)C1CCSC1
InChIInChI=1S/C11H11Cl2NO2S/c12-7-3-8(13)10(15)9(4-7)14-11(16)6-1-2-17-5-6/h3-4,6,15H,1-2,5H2,(H,14,16)
InChIKeyVLJJLWZJVSNJKU-UHFFFAOYSA-N
MW292.19 g/mol
LogP3.39
Rot. Bonds2

About N-(3,5-dichloro-2-hydroxyphenyl)thiolane-3-carboxamide

N-(3,5-dichloro-2-hydroxyphenyl)thiolane-3-carboxamide (PubChem CID 104625878) has the molecular formula C11H11Cl2NO2S and a molecular weight of 292.19 g/mol. Its IUPAC name is N-(3,5-dichloro-2-hydroxyphenyl)thiolane-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-hydroxyphenyl)thiolane-3-carboxamide
PubChem CID104625878
Molecular FormulaC11H11Cl2NO2S
Molecular Weight292.19 g/mol
Exact Mass290.99
IUPAC NameN-(3,5-dichloro-2-hydroxyphenyl)thiolane-3-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1O)C1CCSC1
InChIInChI=1S/C11H11Cl2NO2S/c12-7-3-8(13)10(15)9(4-7)14-11(16)6-1-2-17-5-6/h3-4,6,15H,1-2,5H2,(H,14,16)
InChIKeyVLJJLWZJVSNJKU-UHFFFAOYSA-N
XLogP3.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.19
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dichloro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 103891112
(2R)-N-(3,5-dichloro-2-hydroxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 103891199
N-(4-bromo-3-chlorophenyl)thiolane-3-carboxamide
CID 103824576
2-cyclohexyl-N-(3,5-dichloro-2-hydroxyphenyl)acetamide
CID 107675651
N-(3-hydroxy-2-methylphenyl)thiolane-3-carboxamide
CID 64795102
N-(2-chlorophenyl)thiane-4-carboxamide
CID 110858755
N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]thiolane-3-carboxamide
CID 81270599
N-[4-chloro-3-(trifluoromethyl)phenyl]thiolane-3-carboxamide
CID 110863729
N-(3,5-dichloro-2-hydroxyphenyl)-2,2-dimethylpropanamide
CID 103891250
N-(3-chloro-4-methoxyphenyl)thiolane-3-carboxamide
CID 110859499
N-(5-amino-2-bromo-4-methylphenyl)thiolane-3-carboxamide
CID 113456207
N-(4-chloro-2,5-dimethoxyphenyl)thiane-4-carboxamide
CID 110864457

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-hydroxyphenyl)thiolane-3-carboxamide?
The IUPAC name of N-(3,5-dichloro-2-hydroxyphenyl)thiolane-3-carboxamide (CID 104625878) is N-(3,5-dichloro-2-hydroxyphenyl)thiolane-3-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-2-hydroxyphenyl)thiolane-3-carboxamide?
The canonical SMILES for N-(3,5-dichloro-2-hydroxyphenyl)thiolane-3-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1O)C1CCSC1.
What is the InChIKey of N-(3,5-dichloro-2-hydroxyphenyl)thiolane-3-carboxamide?
The InChIKey is VLJJLWZJVSNJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO2S/c12-7-3-8(13)10(15)9(4-7)14-11(16)6-1-2-17-5-6/h3-4,6,15H,1-2,5H2,(H,14,16).
What are the key properties of N-(3,5-dichloro-2-hydroxyphenyl)thiolane-3-carboxamide?
N-(3,5-dichloro-2-hydroxyphenyl)thiolane-3-carboxamide has a molecular weight of 292.19 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-hydroxyphenyl)thiolane-3-carboxamide is sourced from PubChem (CID 104625878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).