2-(4-chlorophenyl)sulfanyl-N-(3,5-dichloro-4-hydroxyphenyl)acetamide

C14H10Cl3NO2S — CID 1026425

IUPAC2-(4-chlorophenyl)sulfanyl-N-(3,5-dichloro-4-hydroxyphenyl)acetamide
SMILESO=C(CSc1ccc(Cl)cc1)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C14H10Cl3NO2S/c15-8-1-3-10(4-2-8)21-7-13(19)18-9-5-11(16)14(20)12(17)6-9/h1-6,20H,7H2,(H,18,19)
InChIKeyHCHWBLMOUFYABM-UHFFFAOYSA-N
MW362.67 g/mol
LogP5.08
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-N-(3,5-dichloro-4-hydroxyphenyl)acetamide

2-(4-chlorophenyl)sulfanyl-N-(3,5-dichloro-4-hydroxyphenyl)acetamide (PubChem CID 1026425) has the molecular formula C14H10Cl3NO2S and a molecular weight of 362.67 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(3,5-dichloro-4-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(3,5-dichloro-4-hydroxyphenyl)acetamide
PubChem CID1026425
Molecular FormulaC14H10Cl3NO2S
Molecular Weight362.67 g/mol
Exact Mass360.95
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(3,5-dichloro-4-hydroxyphenyl)acetamide
SMILESO=C(CSc1ccc(Cl)cc1)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C14H10Cl3NO2S/c15-8-1-3-10(4-2-8)21-7-13(19)18-9-5-11(16)14(20)12(17)6-9/h1-6,20H,7H2,(H,18,19)
InChIKeyHCHWBLMOUFYABM-UHFFFAOYSA-N
XLogP5.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.67
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenyl)sulfanyl-N-(3,5-dichloro-4-hydroxyphenyl)acetamide 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

2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 3936827
2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 738704
N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 4560101
2-(4-bromophenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide
CID 2227981
2-(4-tert-butylphenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide
CID 3453386
N-[4-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 19630200
N-(3-amino-4-methylphenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 43376968
2-(4-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide
CID 734703
4-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)-4-oxobutanamide
CID 108808181
N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide
CID 767057
N-[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 3344499
N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide
CID 22775721

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(3,5-dichloro-4-hydroxyphenyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(3,5-dichloro-4-hydroxyphenyl)acetamide (CID 1026425) is 2-(4-chlorophenyl)sulfanyl-N-(3,5-dichloro-4-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(3,5-dichloro-4-hydroxyphenyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(3,5-dichloro-4-hydroxyphenyl)acetamide is O=C(CSc1ccc(Cl)cc1)Nc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(3,5-dichloro-4-hydroxyphenyl)acetamide?
The InChIKey is HCHWBLMOUFYABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3NO2S/c15-8-1-3-10(4-2-8)21-7-13(19)18-9-5-11(16)14(20)12(17)6-9/h1-6,20H,7H2,(H,18,19).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(3,5-dichloro-4-hydroxyphenyl)acetamide?
2-(4-chlorophenyl)sulfanyl-N-(3,5-dichloro-4-hydroxyphenyl)acetamide has a molecular weight of 362.67 g/mol, XLogP of 5.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(3,5-dichloro-4-hydroxyphenyl)acetamide is sourced from PubChem (CID 1026425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).