2-chloro-N-(3-ethoxypropyl)-5-(methylsulfamoyl)benzamide

C13H19ClN2O4S — CID 51165018

IUPAC2-chloro-N-(3-ethoxypropyl)-5-(methylsulfamoyl)benzamide
SMILESCCOCCCNC(=O)c1cc(S(=O)(=O)NC)ccc1Cl
InChIInChI=1S/C13H19ClN2O4S/c1-3-20-8-4-7-16-13(17)11-9-10(5-6-12(11)14)21(18,19)15-2/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyFWTCDTSUBUZUAQ-UHFFFAOYSA-N
MW334.83 g/mol
LogP1.40
Rot. Bonds8

About 2-chloro-N-(3-ethoxypropyl)-5-(methylsulfamoyl)benzamide

2-chloro-N-(3-ethoxypropyl)-5-(methylsulfamoyl)benzamide (PubChem CID 51165018) has the molecular formula C13H19ClN2O4S and a molecular weight of 334.83 g/mol. Its IUPAC name is 2-chloro-N-(3-ethoxypropyl)-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(3-ethoxypropyl)-5-(methylsulfamoyl)benzamide
PubChem CID51165018
Molecular FormulaC13H19ClN2O4S
Molecular Weight334.83 g/mol
Exact Mass334.08
IUPAC Name2-chloro-N-(3-ethoxypropyl)-5-(methylsulfamoyl)benzamide
SMILESCCOCCCNC(=O)c1cc(S(=O)(=O)NC)ccc1Cl
InChIInChI=1S/C13H19ClN2O4S/c1-3-20-8-4-7-16-13(17)11-9-10(5-6-12(11)14)21(18,19)15-2/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyFWTCDTSUBUZUAQ-UHFFFAOYSA-N
XLogP1.40
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 51.40
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-5-(methylsulfamoyl)-N-pentylbenzamide
CID 46665691
2-chloro-5-(methylsulfamoyl)-N-[3-(2-phenylethoxy)propyl]benzamide
CID 55945095
2-chloro-N-(3-ethoxypropyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969395
4-chloro-3-(2-ethoxyethylcarbamoyl)benzenesulfonyl chloride
CID 65371525
N-(3-ethoxypropyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 43002878
2-chloro-N-(3-cyclopentylpropyl)-5-(methylsulfamoyl)benzamide
CID 38856928
2-fluoro-N-[3-(2-methoxyethoxy)propyl]-5-(methylsulfamoyl)benzamide
CID 55407905
N-(2-benzamidoethyl)-2-chloro-5-(methylsulfamoyl)benzamide
CID 38196368
2-bromo-5-(tert-butylsulfamoyl)-N-(3-ethoxypropyl)benzamide
CID 32886231
5-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)-2-methylbenzamide
CID 28590378
[5-[[4-chloro-3-(3-ethoxypropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] propan-2-yl carbonate
CID 67749525
2-chloro-5-(methylsulfamoyl)-N-prop-2-enylbenzamide
CID 9442250

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-ethoxypropyl)-5-(methylsulfamoyl)benzamide?
The IUPAC name of 2-chloro-N-(3-ethoxypropyl)-5-(methylsulfamoyl)benzamide (CID 51165018) is 2-chloro-N-(3-ethoxypropyl)-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for 2-chloro-N-(3-ethoxypropyl)-5-(methylsulfamoyl)benzamide?
The canonical SMILES for 2-chloro-N-(3-ethoxypropyl)-5-(methylsulfamoyl)benzamide is CCOCCCNC(=O)c1cc(S(=O)(=O)NC)ccc1Cl.
What is the InChIKey of 2-chloro-N-(3-ethoxypropyl)-5-(methylsulfamoyl)benzamide?
The InChIKey is FWTCDTSUBUZUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O4S/c1-3-20-8-4-7-16-13(17)11-9-10(5-6-12(11)14)21(18,19)15-2/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,16,17).
What are the key properties of 2-chloro-N-(3-ethoxypropyl)-5-(methylsulfamoyl)benzamide?
2-chloro-N-(3-ethoxypropyl)-5-(methylsulfamoyl)benzamide has a molecular weight of 334.83 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-ethoxypropyl)-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 51165018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).