2,4-dichloro-N-(4-sulfanylphenyl)benzamide

C13H9Cl2NOS — CID 143459356

IUPAC2,4-dichloro-N-(4-sulfanylphenyl)benzamide
SMILESO=C(Nc1ccc(S)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl2NOS/c14-8-1-6-11(12(15)7-8)13(17)16-9-2-4-10(18)5-3-9/h1-7,18H,(H,16,17)
InChIKeyWUISHFMKFDYZMK-UHFFFAOYSA-N
MW298.19 g/mol
LogP4.53
Rot. Bonds2

About 2,4-dichloro-N-(4-sulfanylphenyl)benzamide

2,4-dichloro-N-(4-sulfanylphenyl)benzamide (PubChem CID 143459356) has the molecular formula C13H9Cl2NOS and a molecular weight of 298.19 g/mol. Its IUPAC name is 2,4-dichloro-N-(4-sulfanylphenyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(4-sulfanylphenyl)benzamide
PubChem CID143459356
Molecular FormulaC13H9Cl2NOS
Molecular Weight298.19 g/mol
Exact Mass296.98
IUPAC Name2,4-dichloro-N-(4-sulfanylphenyl)benzamide
SMILESO=C(Nc1ccc(S)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl2NOS/c14-8-1-6-11(12(15)7-8)13(17)16-9-2-4-10(18)5-3-9/h1-7,18H,(H,16,17)
InChIKeyWUISHFMKFDYZMK-UHFFFAOYSA-N
XLogP4.53
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,4-dichloro-N-(4-sulfanylphenyl)benzamide 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

N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
2-chloro-N-(4-sulfanylphenyl)benzamide
CID 27137419
2,4-dichloro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 9203694
2,4-dichloro-N-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]benzamide
CID 1348326
2,4-dichloro-N-[4-[(3,5-dimethylbenzoyl)amino]phenyl]benzamide
CID 2206480
2,4-dichloro-N-[4-[(2,4-dichlorobenzoyl)sulfamoyl]phenyl]benzamide
CID 5064055
2,4-dichloro-N-(4-isocyanatophenyl)benzamide
CID 169353449
N-[4-(1-aminoethyl)phenyl]-2,4-dichlorobenzamide
CID 43321115
2,4-dichloro-N-[4-(1,3-dithiolan-2-yl)phenyl]benzamide
CID 2819049
2,4-dichloro-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 111116219
N-[4-(benzenesulfonamido)phenyl]-2,4-dichlorobenzamide
CID 2311784
N-[4-(2-benzamidoethylcarbamoyl)phenyl]-2,4-dichlorobenzamide
CID 121063142

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(4-sulfanylphenyl)benzamide?
The IUPAC name of 2,4-dichloro-N-(4-sulfanylphenyl)benzamide (CID 143459356) is 2,4-dichloro-N-(4-sulfanylphenyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(4-sulfanylphenyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(4-sulfanylphenyl)benzamide is O=C(Nc1ccc(S)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(4-sulfanylphenyl)benzamide?
The InChIKey is WUISHFMKFDYZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NOS/c14-8-1-6-11(12(15)7-8)13(17)16-9-2-4-10(18)5-3-9/h1-7,18H,(H,16,17).
What are the key properties of 2,4-dichloro-N-(4-sulfanylphenyl)benzamide?
2,4-dichloro-N-(4-sulfanylphenyl)benzamide has a molecular weight of 298.19 g/mol, XLogP of 4.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(4-sulfanylphenyl)benzamide is sourced from PubChem (CID 143459356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).