4-chloro-N-(3,4-difluoro-2-methylphenyl)-3-hydroxysulfanylbenzamide

C14H10ClF2NO2S — CID 145366859

IUPAC4-chloro-N-(3,4-difluoro-2-methylphenyl)-3-hydroxysulfanylbenzamide
SMILESCc1c(NC(=O)c2ccc(Cl)c(SO)c2)ccc(F)c1F
InChIInChI=1S/C14H10ClF2NO2S/c1-7-11(5-4-10(16)13(7)17)18-14(19)8-2-3-9(15)12(6-8)21-20/h2-6,20H,1H3,(H,18,19)
InChIKeyXVDYVIBRPCIROY-UHFFFAOYSA-N
MW329.76 g/mol
LogP4.74
Rot. Bonds3

About 4-chloro-N-(3,4-difluoro-2-methylphenyl)-3-hydroxysulfanylbenzamide

4-chloro-N-(3,4-difluoro-2-methylphenyl)-3-hydroxysulfanylbenzamide (PubChem CID 145366859) has the molecular formula C14H10ClF2NO2S and a molecular weight of 329.76 g/mol. Its IUPAC name is 4-chloro-N-(3,4-difluoro-2-methylphenyl)-3-hydroxysulfanylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(3,4-difluoro-2-methylphenyl)-3-hydroxysulfanylbenzamide
PubChem CID145366859
Molecular FormulaC14H10ClF2NO2S
Molecular Weight329.76 g/mol
Exact Mass329.01
IUPAC Name4-chloro-N-(3,4-difluoro-2-methylphenyl)-3-hydroxysulfanylbenzamide
SMILESCc1c(NC(=O)c2ccc(Cl)c(SO)c2)ccc(F)c1F
InChIInChI=1S/C14H10ClF2NO2S/c1-7-11(5-4-10(16)13(7)17)18-14(19)8-2-3-9(15)12(6-8)21-20/h2-6,20H,1H3,(H,18,19)
InChIKeyXVDYVIBRPCIROY-UHFFFAOYSA-N
XLogP4.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.76
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-N-(3,4-difluoro-2-methylphenyl)-3-hydroxysulfanylbenzamide 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

3-amino-4-chloro-N-(2,3,4-trifluorophenyl)benzamide
CID 28722870
N-(3,4-difluoro-2-methylphenyl)acetamide
CID 15692403
4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 2110476
3-bromo-4-chloro-N-(2-fluoro-4-methylphenyl)benzamide
CID 103841501
3-fluoro-4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 26690686
3-chloro-N-(2-fluoro-4-methylphenyl)-4-hydroxybenzamide
CID 28881729
4-chloro-N-(3,4-difluorophenyl)-3-hydroxysulfanylbenzamide;ethanol;methanamine;2-methylhexane
CID 145366832
N-(4-bromo-2,3-dichlorophenyl)-4-fluoro-3-methylbenzamide
CID 107788752
N-(4-chloro-2-fluorophenyl)-3,4-difluorobenzamide
CID 30430307
4-chloro-3-hydroxysulfanyl-N-(3,4,5-trifluorophenyl)benzamide;1-spiro[2.3]hexan-2-ylpropane-1,2-diol
CID 142538034
N-(2-chloro-4-fluorophenyl)-3,4-difluorobenzamide
CID 30431388
4-fluoro-N-(2-fluoro-4-methylphenyl)-3-methylbenzamide
CID 55163065

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,4-difluoro-2-methylphenyl)-3-hydroxysulfanylbenzamide?
The IUPAC name of 4-chloro-N-(3,4-difluoro-2-methylphenyl)-3-hydroxysulfanylbenzamide (CID 145366859) is 4-chloro-N-(3,4-difluoro-2-methylphenyl)-3-hydroxysulfanylbenzamide.
What is the SMILES notation for 4-chloro-N-(3,4-difluoro-2-methylphenyl)-3-hydroxysulfanylbenzamide?
The canonical SMILES for 4-chloro-N-(3,4-difluoro-2-methylphenyl)-3-hydroxysulfanylbenzamide is Cc1c(NC(=O)c2ccc(Cl)c(SO)c2)ccc(F)c1F.
What is the InChIKey of 4-chloro-N-(3,4-difluoro-2-methylphenyl)-3-hydroxysulfanylbenzamide?
The InChIKey is XVDYVIBRPCIROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2NO2S/c1-7-11(5-4-10(16)13(7)17)18-14(19)8-2-3-9(15)12(6-8)21-20/h2-6,20H,1H3,(H,18,19).
What are the key properties of 4-chloro-N-(3,4-difluoro-2-methylphenyl)-3-hydroxysulfanylbenzamide?
4-chloro-N-(3,4-difluoro-2-methylphenyl)-3-hydroxysulfanylbenzamide has a molecular weight of 329.76 g/mol, XLogP of 4.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,4-difluoro-2-methylphenyl)-3-hydroxysulfanylbenzamide is sourced from PubChem (CID 145366859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).