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

C12H17ClN2O4S — CID 65387830

IUPAC3-chloro-N-ethyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide
SMILESCCN(CCOC)C(=O)c1cc(Cl)cc(S(N)(=O)=O)c1
InChIInChI=1S/C12H17ClN2O4S/c1-3-15(4-5-19-2)12(16)9-6-10(13)8-11(7-9)20(14,17)18/h6-8H,3-5H2,1-2H3,(H2,14,17,18)
InChIKeyCNNAAMLOQQASIY-UHFFFAOYSA-N
MW320.80 g/mol
LogP1.10
Rot. Bonds6

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

3-chloro-N-ethyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide (PubChem CID 65387830) has the molecular formula C12H17ClN2O4S and a molecular weight of 320.80 g/mol. Its IUPAC name is 3-chloro-N-ethyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide
PubChem CID65387830
Molecular FormulaC12H17ClN2O4S
Molecular Weight320.80 g/mol
Exact Mass320.06
IUPAC Name3-chloro-N-ethyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide
SMILESCCN(CCOC)C(=O)c1cc(Cl)cc(S(N)(=O)=O)c1
InChIInChI=1S/C12H17ClN2O4S/c1-3-15(4-5-19-2)12(16)9-6-10(13)8-11(7-9)20(14,17)18/h6-8H,3-5H2,1-2H3,(H2,14,17,18)
InChIKeyCNNAAMLOQQASIY-UHFFFAOYSA-N
XLogP1.10
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(2-ethoxyethyl)-N-ethyl-5-sulfamoylbenzamide
CID 65388870
3-bromo-N-ethyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65386871
N-ethyl-3-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65387256
3-chloro-N-(2-methoxyethyl)-N-methyl-5-sulfamoylbenzamide
CID 65388976
3-chloro-N-(cyclobutylmethyl)-N-ethyl-5-sulfamoylbenzamide
CID 107400421
N-ethyl-2-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65387640
2-chloro-N-ethyl-6-hydrazinyl-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 62248055
N-ethyl-4-methoxy-N-(2-methoxyethyl)-3-sulfamoylbenzamide
CID 65386486
N-(3-amino-3-sulfanylidenepropyl)-3,5-dichloro-N-(2-methoxyethyl)benzamide
CID 63287704
N,N-diethyl-3-fluoro-5-sulfamoylbenzamide
CID 65375543
2-chloro-N-ethyl-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65387832
3-chloro-N-(1-methoxypentan-2-yl)-5-sulfamoylbenzamide
CID 65382617

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
The IUPAC name of 3-chloro-N-ethyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide (CID 65387830) is 3-chloro-N-ethyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 3-chloro-N-ethyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
The canonical SMILES for 3-chloro-N-ethyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide is CCN(CCOC)C(=O)c1cc(Cl)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-chloro-N-ethyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
The InChIKey is CNNAAMLOQQASIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4S/c1-3-15(4-5-19-2)12(16)9-6-10(13)8-11(7-9)20(14,17)18/h6-8H,3-5H2,1-2H3,(H2,14,17,18).
What are the key properties of 3-chloro-N-ethyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
3-chloro-N-ethyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide has a molecular weight of 320.80 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 65387830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).