3-[(2-chlorophenyl)sulfamoyl]-N-(3-cyclohexyloxypropyl)benzamide

C22H27ClN2O4S — CID 55408428

IUPAC3-[(2-chlorophenyl)sulfamoyl]-N-(3-cyclohexyloxypropyl)benzamide
SMILESO=C(NCCCOC1CCCCC1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C22H27ClN2O4S/c23-20-12-4-5-13-21(20)25-30(27,28)19-11-6-8-17(16-19)22(26)24-14-7-15-29-18-9-2-1-3-10-18/h4-6,8,11-13,16,18,25H,1-3,7,9-10,14-15H2,(H,24,26)
InChIKeyCKGDFNKOZAHVGC-UHFFFAOYSA-N
MW450.99 g/mol
LogP4.61
Rot. Bonds9

About 3-[(2-chlorophenyl)sulfamoyl]-N-(3-cyclohexyloxypropyl)benzamide

3-[(2-chlorophenyl)sulfamoyl]-N-(3-cyclohexyloxypropyl)benzamide (PubChem CID 55408428) has the molecular formula C22H27ClN2O4S and a molecular weight of 450.99 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)sulfamoyl]-N-(3-cyclohexyloxypropyl)benzamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)sulfamoyl]-N-(3-cyclohexyloxypropyl)benzamide
PubChem CID55408428
Molecular FormulaC22H27ClN2O4S
Molecular Weight450.99 g/mol
Exact Mass450.14
IUPAC Name3-[(2-chlorophenyl)sulfamoyl]-N-(3-cyclohexyloxypropyl)benzamide
SMILESO=C(NCCCOC1CCCCC1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C22H27ClN2O4S/c23-20-12-4-5-13-21(20)25-30(27,28)19-11-6-8-17(16-19)22(26)24-14-7-15-29-18-9-2-1-3-10-18/h4-6,8,11-13,16,18,25H,1-3,7,9-10,14-15H2,(H,24,26)
InChIKeyCKGDFNKOZAHVGC-UHFFFAOYSA-N
XLogP4.61
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.99
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chlorophenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 30859194
N-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 18106251
3-[(2-chlorophenyl)sulfamoyl]-N-cyclopentylbenzamide
CID 9214750
3-[(2-chlorophenyl)sulfamoyl]-N-[3-(dimethylamino)propyl]benzamide
CID 109064248
N-(3-cyclohexyloxypropyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 31719960
N-[3-[benzyl(methyl)amino]propyl]-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 31588662
3-[(2-chlorophenyl)sulfamoyl]-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]benzamide
CID 55658702
3-[(2-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 18108761
3-[(2-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35513235
3-[(2-chlorophenyl)sulfamoyl]-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide
CID 55711291
3-[(2-chlorophenyl)sulfamoyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 32735630
3-[(2-chlorophenyl)sulfamoyl]-N-[(2S)-2-hydroxy-3-methylbutyl]benzamide
CID 97012345

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)sulfamoyl]-N-(3-cyclohexyloxypropyl)benzamide?
The IUPAC name of 3-[(2-chlorophenyl)sulfamoyl]-N-(3-cyclohexyloxypropyl)benzamide (CID 55408428) is 3-[(2-chlorophenyl)sulfamoyl]-N-(3-cyclohexyloxypropyl)benzamide.
What is the SMILES notation for 3-[(2-chlorophenyl)sulfamoyl]-N-(3-cyclohexyloxypropyl)benzamide?
The canonical SMILES for 3-[(2-chlorophenyl)sulfamoyl]-N-(3-cyclohexyloxypropyl)benzamide is O=C(NCCCOC1CCCCC1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of 3-[(2-chlorophenyl)sulfamoyl]-N-(3-cyclohexyloxypropyl)benzamide?
The InChIKey is CKGDFNKOZAHVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O4S/c23-20-12-4-5-13-21(20)25-30(27,28)19-11-6-8-17(16-19)22(26)24-14-7-15-29-18-9-2-1-3-10-18/h4-6,8,11-13,16,18,25H,1-3,7,9-10,14-15H2,(H,24,26).
What are the key properties of 3-[(2-chlorophenyl)sulfamoyl]-N-(3-cyclohexyloxypropyl)benzamide?
3-[(2-chlorophenyl)sulfamoyl]-N-(3-cyclohexyloxypropyl)benzamide has a molecular weight of 450.99 g/mol, XLogP of 4.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)sulfamoyl]-N-(3-cyclohexyloxypropyl)benzamide is sourced from PubChem (CID 55408428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).