4-chloro-N-cyclooctyl-3-[methoxy(methyl)sulfamoyl]benzamide

C17H25ClN2O4S — CID 26244416

IUPAC4-chloro-N-cyclooctyl-3-[methoxy(methyl)sulfamoyl]benzamide
SMILESCON(C)S(=O)(=O)c1cc(C(=O)NC2CCCCCCC2)ccc1Cl
InChIInChI=1S/C17H25ClN2O4S/c1-20(24-2)25(22,23)16-12-13(10-11-15(16)18)17(21)19-14-8-6-4-3-5-7-9-14/h10-12,14H,3-9H2,1-2H3,(H,19,21)
InChIKeyYITWDVXVILFWME-UHFFFAOYSA-N
MW388.92 g/mol
LogP3.36
Rot. Bonds5

About 4-chloro-N-cyclooctyl-3-[methoxy(methyl)sulfamoyl]benzamide

4-chloro-N-cyclooctyl-3-[methoxy(methyl)sulfamoyl]benzamide (PubChem CID 26244416) has the molecular formula C17H25ClN2O4S and a molecular weight of 388.92 g/mol. Its IUPAC name is 4-chloro-N-cyclooctyl-3-[methoxy(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-cyclooctyl-3-[methoxy(methyl)sulfamoyl]benzamide
PubChem CID26244416
Molecular FormulaC17H25ClN2O4S
Molecular Weight388.92 g/mol
Exact Mass388.12
IUPAC Name4-chloro-N-cyclooctyl-3-[methoxy(methyl)sulfamoyl]benzamide
SMILESCON(C)S(=O)(=O)c1cc(C(=O)NC2CCCCCCC2)ccc1Cl
InChIInChI=1S/C17H25ClN2O4S/c1-20(24-2)25(22,23)16-12-13(10-11-15(16)18)17(21)19-14-8-6-4-3-5-7-9-14/h10-12,14H,3-9H2,1-2H3,(H,19,21)
InChIKeyYITWDVXVILFWME-UHFFFAOYSA-N
XLogP3.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
CID 8722300
4-chloro-N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 55532770
4-chloro-N-cyclohexyl-3-methylsulfonylbenzamide
CID 17456227
N-cyclooctyl-4-[methoxy(methyl)sulfamoyl]benzamide
CID 17490358
4-chloro-N-cyclopentyl-3-(methylsulfamoyl)benzamide
CID 9213864
4-chloro-3-(dimethylsulfamoyl)-N-(4-methylcyclohexyl)benzamide
CID 43000186
4-chloro-N-(4-cyclopentylsulfanylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 46600086
3-(azepan-1-ylsulfonyl)-4-chloro-N-cyclohexylbenzamide
CID 1216844
4-chloro-N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068470
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 55538385
4-chloro-N-(4-chlorophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27666735
4-chloro-N-(3,5-dimethylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27667360

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclooctyl-3-[methoxy(methyl)sulfamoyl]benzamide?
The IUPAC name of 4-chloro-N-cyclooctyl-3-[methoxy(methyl)sulfamoyl]benzamide (CID 26244416) is 4-chloro-N-cyclooctyl-3-[methoxy(methyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-cyclooctyl-3-[methoxy(methyl)sulfamoyl]benzamide?
The canonical SMILES for 4-chloro-N-cyclooctyl-3-[methoxy(methyl)sulfamoyl]benzamide is CON(C)S(=O)(=O)c1cc(C(=O)NC2CCCCCCC2)ccc1Cl.
What is the InChIKey of 4-chloro-N-cyclooctyl-3-[methoxy(methyl)sulfamoyl]benzamide?
The InChIKey is YITWDVXVILFWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O4S/c1-20(24-2)25(22,23)16-12-13(10-11-15(16)18)17(21)19-14-8-6-4-3-5-7-9-14/h10-12,14H,3-9H2,1-2H3,(H,19,21).
What are the key properties of 4-chloro-N-cyclooctyl-3-[methoxy(methyl)sulfamoyl]benzamide?
4-chloro-N-cyclooctyl-3-[methoxy(methyl)sulfamoyl]benzamide has a molecular weight of 388.92 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclooctyl-3-[methoxy(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 26244416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).