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

C11H15ClN2O4S — CID 107100880

IUPAC3-chloro-N-(2-methoxyethyl)-2-methyl-5-sulfamoylbenzamide
SMILESCOCCNC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1C
InChIInChI=1S/C11H15ClN2O4S/c1-7-9(11(15)14-3-4-18-2)5-8(6-10(7)12)19(13,16)17/h5-6H,3-4H2,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeyOPOJEAYGRHUKHS-UHFFFAOYSA-N
MW306.77 g/mol
LogP0.67
Rot. Bonds5

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

3-chloro-N-(2-methoxyethyl)-2-methyl-5-sulfamoylbenzamide (PubChem CID 107100880) has the molecular formula C11H15ClN2O4S and a molecular weight of 306.77 g/mol. Its IUPAC name is 3-chloro-N-(2-methoxyethyl)-2-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(2-methoxyethyl)-2-methyl-5-sulfamoylbenzamide
PubChem CID107100880
Molecular FormulaC11H15ClN2O4S
Molecular Weight306.77 g/mol
Exact Mass306.04
IUPAC Name3-chloro-N-(2-methoxyethyl)-2-methyl-5-sulfamoylbenzamide
SMILESCOCCNC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1C
InChIInChI=1S/C11H15ClN2O4S/c1-7-9(11(15)14-3-4-18-2)5-8(6-10(7)12)19(13,16)17/h5-6H,3-4H2,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeyOPOJEAYGRHUKHS-UHFFFAOYSA-N
XLogP0.67
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 50.67
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

3-chloro-2-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide
CID 107100939
2-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 47101010
3-chloro-N-(3-cyclopropylpropyl)-2-methyl-5-sulfamoylbenzamide
CID 107101066
3-methoxypropyl 3-chloro-2-methyl-5-sulfamoylbenzoate
CID 107101090
3-chloro-4-methyl-5-(2-propan-2-yloxyethylcarbamoyl)benzenesulfonyl chloride
CID 107100736
2-bromo-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 31540706
N-(2-methoxyethyl)-3-methylsulfonyl-5-sulfamoylbenzamide
CID 65375749
3-chloro-2-methyl-5-sulfamoylbenzamide
CID 107100898
2-chloro-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65375166
3-chloro-2-methyl-N-(1-methylsulfinylpropan-2-yl)-5-sulfamoylbenzamide
CID 107101053
2-chloro-N-(2-propan-2-yloxyethyl)-5-sulfamoylbenzamide
CID 104600938
5-bromo-3-(2-methoxyethylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 65368654

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methoxyethyl)-2-methyl-5-sulfamoylbenzamide?
The IUPAC name of 3-chloro-N-(2-methoxyethyl)-2-methyl-5-sulfamoylbenzamide (CID 107100880) is 3-chloro-N-(2-methoxyethyl)-2-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for 3-chloro-N-(2-methoxyethyl)-2-methyl-5-sulfamoylbenzamide?
The canonical SMILES for 3-chloro-N-(2-methoxyethyl)-2-methyl-5-sulfamoylbenzamide is COCCNC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1C.
What is the InChIKey of 3-chloro-N-(2-methoxyethyl)-2-methyl-5-sulfamoylbenzamide?
The InChIKey is OPOJEAYGRHUKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O4S/c1-7-9(11(15)14-3-4-18-2)5-8(6-10(7)12)19(13,16)17/h5-6H,3-4H2,1-2H3,(H,14,15)(H2,13,16,17).
What are the key properties of 3-chloro-N-(2-methoxyethyl)-2-methyl-5-sulfamoylbenzamide?
3-chloro-N-(2-methoxyethyl)-2-methyl-5-sulfamoylbenzamide has a molecular weight of 306.77 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methoxyethyl)-2-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 107100880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).