4-chloro-2-cyclohexylsulfanyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide

C16H23ClN2O4S2 — CID 126508781

IUPAC4-chloro-2-cyclohexylsulfanyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide
SMILESCOCCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1SC1CCCCC1
InChIInChI=1S/C16H23ClN2O4S2/c1-23-8-7-19-16(20)12-9-15(25(18,21)22)13(17)10-14(12)24-11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyXGTJWUIMMWSYOY-UHFFFAOYSA-N
MW406.96 g/mol
LogP2.79
Rot. Bonds7

About 4-chloro-2-cyclohexylsulfanyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide

4-chloro-2-cyclohexylsulfanyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide (PubChem CID 126508781) has the molecular formula C16H23ClN2O4S2 and a molecular weight of 406.96 g/mol. Its IUPAC name is 4-chloro-2-cyclohexylsulfanyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-2-cyclohexylsulfanyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide
PubChem CID126508781
Molecular FormulaC16H23ClN2O4S2
Molecular Weight406.96 g/mol
Exact Mass406.08
IUPAC Name4-chloro-2-cyclohexylsulfanyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide
SMILESCOCCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1SC1CCCCC1
InChIInChI=1S/C16H23ClN2O4S2/c1-23-8-7-19-16(20)12-9-15(25(18,21)22)13(17)10-14(12)24-11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyXGTJWUIMMWSYOY-UHFFFAOYSA-N
XLogP2.79
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.96
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-chloro-2-cyclohexylsulfanyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclohexylsulfanyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
The IUPAC name of 4-chloro-2-cyclohexylsulfanyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide (CID 126508781) is 4-chloro-2-cyclohexylsulfanyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-2-cyclohexylsulfanyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-2-cyclohexylsulfanyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide is COCCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1SC1CCCCC1.
What is the InChIKey of 4-chloro-2-cyclohexylsulfanyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
The InChIKey is XGTJWUIMMWSYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O4S2/c1-23-8-7-19-16(20)12-9-15(25(18,21)22)13(17)10-14(12)24-11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,19,20)(H2,18,21,22).
What are the key properties of 4-chloro-2-cyclohexylsulfanyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
4-chloro-2-cyclohexylsulfanyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide has a molecular weight of 406.96 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclohexylsulfanyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 126508781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).