3-chloro-N-(2-ethoxyethyl)-N-ethyl-5-sulfamoylbenzamide

C13H19ClN2O4S — CID 65388870

IUPAC3-chloro-N-(2-ethoxyethyl)-N-ethyl-5-sulfamoylbenzamide
SMILESCCOCCN(CC)C(=O)c1cc(Cl)cc(S(N)(=O)=O)c1
InChIInChI=1S/C13H19ClN2O4S/c1-3-16(5-6-20-4-2)13(17)10-7-11(14)9-12(8-10)21(15,18)19/h7-9H,3-6H2,1-2H3,(H2,15,18,19)
InChIKeyBHXPKIBVAUYVQB-UHFFFAOYSA-N
MW334.83 g/mol
LogP1.49
Rot. Bonds7

About 3-chloro-N-(2-ethoxyethyl)-N-ethyl-5-sulfamoylbenzamide

3-chloro-N-(2-ethoxyethyl)-N-ethyl-5-sulfamoylbenzamide (PubChem CID 65388870) has the molecular formula C13H19ClN2O4S and a molecular weight of 334.83 g/mol. Its IUPAC name is 3-chloro-N-(2-ethoxyethyl)-N-ethyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(2-ethoxyethyl)-N-ethyl-5-sulfamoylbenzamide
PubChem CID65388870
Molecular FormulaC13H19ClN2O4S
Molecular Weight334.83 g/mol
Exact Mass334.08
IUPAC Name3-chloro-N-(2-ethoxyethyl)-N-ethyl-5-sulfamoylbenzamide
SMILESCCOCCN(CC)C(=O)c1cc(Cl)cc(S(N)(=O)=O)c1
InChIInChI=1S/C13H19ClN2O4S/c1-3-16(5-6-20-4-2)13(17)10-7-11(14)9-12(8-10)21(15,18)19/h7-9H,3-6H2,1-2H3,(H2,15,18,19)
InChIKeyBHXPKIBVAUYVQB-UHFFFAOYSA-N
XLogP1.49
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-ethyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65387830
3-chloro-N-(cyclobutylmethyl)-N-ethyl-5-sulfamoylbenzamide
CID 107400421
3-bromo-N-ethyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65386871
N-ethyl-3-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65387256
3-[2-ethoxyethyl(ethyl)carbamoyl]benzenesulfonyl chloride
CID 63691803
N-(2-ethoxyethyl)-N-ethyl-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65388486
3-chloro-N-(2-methoxyethyl)-N-methyl-5-sulfamoylbenzamide
CID 65388976
N-(2-ethoxyethyl)-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 63722565
3-bromo-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide
CID 81074001
3-chloro-N-(2-ethoxyethyl)-N-ethyl-4-hydroxybenzamide
CID 63692359
N,N-diethyl-3-fluoro-5-sulfamoylbenzamide
CID 65375543
N-(2-ethoxyethyl)-N-ethylbenzamide
CID 63718241

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-ethoxyethyl)-N-ethyl-5-sulfamoylbenzamide?
The IUPAC name of 3-chloro-N-(2-ethoxyethyl)-N-ethyl-5-sulfamoylbenzamide (CID 65388870) is 3-chloro-N-(2-ethoxyethyl)-N-ethyl-5-sulfamoylbenzamide.
What is the SMILES notation for 3-chloro-N-(2-ethoxyethyl)-N-ethyl-5-sulfamoylbenzamide?
The canonical SMILES for 3-chloro-N-(2-ethoxyethyl)-N-ethyl-5-sulfamoylbenzamide is CCOCCN(CC)C(=O)c1cc(Cl)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-chloro-N-(2-ethoxyethyl)-N-ethyl-5-sulfamoylbenzamide?
The InChIKey is BHXPKIBVAUYVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O4S/c1-3-16(5-6-20-4-2)13(17)10-7-11(14)9-12(8-10)21(15,18)19/h7-9H,3-6H2,1-2H3,(H2,15,18,19).
What are the key properties of 3-chloro-N-(2-ethoxyethyl)-N-ethyl-5-sulfamoylbenzamide?
3-chloro-N-(2-ethoxyethyl)-N-ethyl-5-sulfamoylbenzamide has a molecular weight of 334.83 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-ethoxyethyl)-N-ethyl-5-sulfamoylbenzamide is sourced from PubChem (CID 65388870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).