2-chloro-N-(3-ethoxypropyl)-4-(methanesulfonamido)benzamide

C13H19ClN2O4S — CID 92686029

IUPAC2-chloro-N-(3-ethoxypropyl)-4-(methanesulfonamido)benzamide
SMILESCCOCCCNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl
InChIInChI=1S/C13H19ClN2O4S/c1-3-20-8-4-7-15-13(17)11-6-5-10(9-12(11)14)16-21(2,18)19/h5-6,9,16H,3-4,7-8H2,1-2H3,(H,15,17)
InChIKeyHZOSHVNCFGWWSO-UHFFFAOYSA-N
MW334.83 g/mol
LogP1.87
Rot. Bonds8

About 2-chloro-N-(3-ethoxypropyl)-4-(methanesulfonamido)benzamide

2-chloro-N-(3-ethoxypropyl)-4-(methanesulfonamido)benzamide (PubChem CID 92686029) has the molecular formula C13H19ClN2O4S and a molecular weight of 334.83 g/mol. Its IUPAC name is 2-chloro-N-(3-ethoxypropyl)-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound Name2-chloro-N-(3-ethoxypropyl)-4-(methanesulfonamido)benzamide
PubChem CID92686029
Molecular FormulaC13H19ClN2O4S
Molecular Weight334.83 g/mol
Exact Mass334.08
IUPAC Name2-chloro-N-(3-ethoxypropyl)-4-(methanesulfonamido)benzamide
SMILESCCOCCCNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl
InChIInChI=1S/C13H19ClN2O4S/c1-3-20-8-4-7-15-13(17)11-6-5-10(9-12(11)14)16-21(2,18)19/h5-6,9,16H,3-4,7-8H2,1-2H3,(H,15,17)
InChIKeyHZOSHVNCFGWWSO-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
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-4-(methanesulfonamido)-N-(2-methoxyethyl)benzamide
CID 38003506
2-chloro-5-(methanesulfonamido)-N-(3-methoxypropyl)benzamide
CID 53283791
2-chloro-N-[2-(dimethylamino)ethyl]-4-(methanesulfonamido)benzamide
CID 43908500
2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide
CID 92677554
2-chloro-N-(3-ethoxypropyl)-5-(methylsulfamoyl)benzamide
CID 51165018
2-chloro-N-(2-ethylhexyl)-4-(methanesulfonamido)benzamide
CID 133239724
2-chloro-N-[3-(4-fluorophenyl)propyl]-5-(methanesulfonamido)benzamide
CID 28635620
4-chloro-N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 24540699
2,4-dibromo-N-(3-ethoxypropyl)benzamide
CID 103882188
N-[3-(2-bromoethoxy)propyl]-2-chloro-4-methylbenzamide
CID 106307690
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-ethoxypropyl)benzamide
CID 24540698
2-chloro-4-(methanesulfonamido)-N-(1-phenylpropyl)benzamide
CID 43876402

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-ethoxypropyl)-4-(methanesulfonamido)benzamide?
The IUPAC name of 2-chloro-N-(3-ethoxypropyl)-4-(methanesulfonamido)benzamide (CID 92686029) is 2-chloro-N-(3-ethoxypropyl)-4-(methanesulfonamido)benzamide.
What is the SMILES notation for 2-chloro-N-(3-ethoxypropyl)-4-(methanesulfonamido)benzamide?
The canonical SMILES for 2-chloro-N-(3-ethoxypropyl)-4-(methanesulfonamido)benzamide is CCOCCCNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl.
What is the InChIKey of 2-chloro-N-(3-ethoxypropyl)-4-(methanesulfonamido)benzamide?
The InChIKey is HZOSHVNCFGWWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O4S/c1-3-20-8-4-7-15-13(17)11-6-5-10(9-12(11)14)16-21(2,18)19/h5-6,9,16H,3-4,7-8H2,1-2H3,(H,15,17).
What are the key properties of 2-chloro-N-(3-ethoxypropyl)-4-(methanesulfonamido)benzamide?
2-chloro-N-(3-ethoxypropyl)-4-(methanesulfonamido)benzamide has a molecular weight of 334.83 g/mol, XLogP of 1.87, 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)-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 92686029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).