2,4-dichloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide

C10H12Cl2N2O4S — CID 21189414

IUPAC2,4-dichloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
SMILESCOCCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyWVMBHAOCSXODMK-UHFFFAOYSA-N
MW327.19 g/mol
LogP1.02
Rot. Bonds5

About 2,4-dichloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide

2,4-dichloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide (PubChem CID 21189414) has the molecular formula C10H12Cl2N2O4S and a molecular weight of 327.19 g/mol. Its IUPAC name is 2,4-dichloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
PubChem CID21189414
Molecular FormulaC10H12Cl2N2O4S
Molecular Weight327.19 g/mol
Exact Mass325.99
IUPAC Name2,4-dichloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
SMILESCOCCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyWVMBHAOCSXODMK-UHFFFAOYSA-N
XLogP1.02
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 51.02
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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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
The IUPAC name of 2,4-dichloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide (CID 21189414) is 2,4-dichloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
The canonical SMILES for 2,4-dichloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide is COCCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
The InChIKey is WVMBHAOCSXODMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O4S/c1-18-3-2-14-10(15)6-4-9(19(13,16)17)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of 2,4-dichloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
2,4-dichloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide has a molecular weight of 327.19 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 21189414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).