3-[(3-chlorophenyl)sulfamoyl]-N-[3-(2-methylpropoxy)propyl]benzamide

C20H25ClN2O4S — CID 24560167

IUPAC3-[(3-chlorophenyl)sulfamoyl]-N-[3-(2-methylpropoxy)propyl]benzamide
SMILESCC(C)COCCCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C20H25ClN2O4S/c1-15(2)14-27-11-5-10-22-20(24)16-6-3-9-19(12-16)28(25,26)23-18-8-4-7-17(21)13-18/h3-4,6-9,12-13,15,23H,5,10-11,14H2,1-2H3,(H,22,24)
InChIKeyJPYJDFYURAQXJN-UHFFFAOYSA-N
MW424.95 g/mol
LogP3.93
Rot. Bonds10

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

3-[(3-chlorophenyl)sulfamoyl]-N-[3-(2-methylpropoxy)propyl]benzamide (PubChem CID 24560167) has the molecular formula C20H25ClN2O4S and a molecular weight of 424.95 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfamoyl]-N-[3-(2-methylpropoxy)propyl]benzamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfamoyl]-N-[3-(2-methylpropoxy)propyl]benzamide
PubChem CID24560167
Molecular FormulaC20H25ClN2O4S
Molecular Weight424.95 g/mol
Exact Mass424.12
IUPAC Name3-[(3-chlorophenyl)sulfamoyl]-N-[3-(2-methylpropoxy)propyl]benzamide
SMILESCC(C)COCCCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C20H25ClN2O4S/c1-15(2)14-27-11-5-10-22-20(24)16-6-3-9-19(12-16)28(25,26)23-18-8-4-7-17(21)13-18/h3-4,6-9,12-13,15,23H,5,10-11,14H2,1-2H3,(H,22,24)
InChIKeyJPYJDFYURAQXJN-UHFFFAOYSA-N
XLogP3.93
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 53.93
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

N-[3-(2-methylpropoxy)propyl]-3-sulfamoylbenzamide
CID 103606594
3-[(3-chlorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26498991
N-(3-ethoxypropyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 26776167
2-chloro-N-[2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]ethyl]benzamide
CID 55659484
3-(benzenesulfonamido)-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 55408119
3-[(3-chlorophenyl)sulfamoyl]-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide
CID 55725020
3-acetamido-N-[3-(2-methylpropoxy)propyl]benzamide
CID 51278231
N-(4-methylpentyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 32628667
3-[(3-fluorophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 109063851
N-(3-methoxypropyl)-3-(2-methylpropylsulfamoyl)benzamide
CID 109062648
3-[(3-chlorophenyl)sulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide
CID 134058784
3-[(3-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35513232

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfamoyl]-N-[3-(2-methylpropoxy)propyl]benzamide?
The IUPAC name of 3-[(3-chlorophenyl)sulfamoyl]-N-[3-(2-methylpropoxy)propyl]benzamide (CID 24560167) is 3-[(3-chlorophenyl)sulfamoyl]-N-[3-(2-methylpropoxy)propyl]benzamide.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfamoyl]-N-[3-(2-methylpropoxy)propyl]benzamide?
The canonical SMILES for 3-[(3-chlorophenyl)sulfamoyl]-N-[3-(2-methylpropoxy)propyl]benzamide is CC(C)COCCCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of 3-[(3-chlorophenyl)sulfamoyl]-N-[3-(2-methylpropoxy)propyl]benzamide?
The InChIKey is JPYJDFYURAQXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4S/c1-15(2)14-27-11-5-10-22-20(24)16-6-3-9-19(12-16)28(25,26)23-18-8-4-7-17(21)13-18/h3-4,6-9,12-13,15,23H,5,10-11,14H2,1-2H3,(H,22,24).
What are the key properties of 3-[(3-chlorophenyl)sulfamoyl]-N-[3-(2-methylpropoxy)propyl]benzamide?
3-[(3-chlorophenyl)sulfamoyl]-N-[3-(2-methylpropoxy)propyl]benzamide has a molecular weight of 424.95 g/mol, XLogP of 3.93, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfamoyl]-N-[3-(2-methylpropoxy)propyl]benzamide is sourced from PubChem (CID 24560167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).