2-chloro-5-(methylsulfamoyl)-N-[3-(2-phenylethoxy)propyl]benzamide

C19H23ClN2O4S — CID 55945095

IUPAC2-chloro-5-(methylsulfamoyl)-N-[3-(2-phenylethoxy)propyl]benzamide
SMILESCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCCOCCc2ccccc2)c1
InChIInChI=1S/C19H23ClN2O4S/c1-21-27(24,25)16-8-9-18(20)17(14-16)19(23)22-11-5-12-26-13-10-15-6-3-2-4-7-15/h2-4,6-9,14,21H,5,10-13H2,1H3,(H,22,23)
InChIKeyXHQZYJLRABXSCO-UHFFFAOYSA-N
MW410.92 g/mol
LogP2.63
Rot. Bonds10

About 2-chloro-5-(methylsulfamoyl)-N-[3-(2-phenylethoxy)propyl]benzamide

2-chloro-5-(methylsulfamoyl)-N-[3-(2-phenylethoxy)propyl]benzamide (PubChem CID 55945095) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is 2-chloro-5-(methylsulfamoyl)-N-[3-(2-phenylethoxy)propyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-(methylsulfamoyl)-N-[3-(2-phenylethoxy)propyl]benzamide
PubChem CID55945095
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC Name2-chloro-5-(methylsulfamoyl)-N-[3-(2-phenylethoxy)propyl]benzamide
SMILESCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCCOCCc2ccccc2)c1
InChIInChI=1S/C19H23ClN2O4S/c1-21-27(24,25)16-8-9-18(20)17(14-16)19(23)22-11-5-12-26-13-10-15-6-3-2-4-7-15/h2-4,6-9,14,21H,5,10-13H2,1H3,(H,22,23)
InChIKeyXHQZYJLRABXSCO-UHFFFAOYSA-N
XLogP2.63
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 52.63
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

2-chloro-N-(3-ethoxypropyl)-5-(methylsulfamoyl)benzamide
CID 51165018
N-(2-benzamidoethyl)-2-chloro-5-(methylsulfamoyl)benzamide
CID 38196368
1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[3-(2-phenylethoxy)propyl]urea
CID 55934144
2-chloro-5-(methylsulfamoyl)-N-pentylbenzamide
CID 46665691
2-fluoro-N-[3-(2-methoxyethoxy)propyl]-5-(methylsulfamoyl)benzamide
CID 55407905
2-chloro-N-(3-cyclopentylpropyl)-5-(methylsulfamoyl)benzamide
CID 38856928
N-[3-(1,3-benzothiazol-2-yl)propyl]-2-chloro-5-(methylsulfamoyl)benzamide
CID 55492533
2-chloro-5-(diethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 7732727
2-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride
CID 119944824
2-chloro-5-[methyl(phenyl)sulfamoyl]-N-[3-(2-methylpropoxy)propyl]benzamide
CID 78816525
2-chloro-5-(methylsulfamoyl)-N-prop-2-enylbenzamide
CID 9442250
2-chloro-5-(2-phenoxyethylsulfamoyl)-N-prop-2-ynylbenzamide
CID 24633320

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(methylsulfamoyl)-N-[3-(2-phenylethoxy)propyl]benzamide?
The IUPAC name of 2-chloro-5-(methylsulfamoyl)-N-[3-(2-phenylethoxy)propyl]benzamide (CID 55945095) is 2-chloro-5-(methylsulfamoyl)-N-[3-(2-phenylethoxy)propyl]benzamide.
What is the SMILES notation for 2-chloro-5-(methylsulfamoyl)-N-[3-(2-phenylethoxy)propyl]benzamide?
The canonical SMILES for 2-chloro-5-(methylsulfamoyl)-N-[3-(2-phenylethoxy)propyl]benzamide is CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCCOCCc2ccccc2)c1.
What is the InChIKey of 2-chloro-5-(methylsulfamoyl)-N-[3-(2-phenylethoxy)propyl]benzamide?
The InChIKey is XHQZYJLRABXSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-21-27(24,25)16-8-9-18(20)17(14-16)19(23)22-11-5-12-26-13-10-15-6-3-2-4-7-15/h2-4,6-9,14,21H,5,10-13H2,1H3,(H,22,23).
What are the key properties of 2-chloro-5-(methylsulfamoyl)-N-[3-(2-phenylethoxy)propyl]benzamide?
2-chloro-5-(methylsulfamoyl)-N-[3-(2-phenylethoxy)propyl]benzamide has a molecular weight of 410.92 g/mol, XLogP of 2.63, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(methylsulfamoyl)-N-[3-(2-phenylethoxy)propyl]benzamide is sourced from PubChem (CID 55945095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).