2-(benzylamino)-4-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide

C17H20ClN3O4S — CID 126508531

IUPAC2-(benzylamino)-4-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
SMILESCOCCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1NCc1ccccc1
InChIInChI=1S/C17H20ClN3O4S/c1-25-8-7-20-17(22)13-9-16(26(19,23)24)14(18)10-15(13)21-11-12-5-3-2-4-6-12/h2-6,9-10,21H,7-8,11H2,1H3,(H,20,22)(H2,19,23,24)
InChIKeyWFMCWVKJGYZDDZ-UHFFFAOYSA-N
MW397.88 g/mol
LogP1.98
Rot. Bonds8

About 2-(benzylamino)-4-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide

2-(benzylamino)-4-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide (PubChem CID 126508531) has the molecular formula C17H20ClN3O4S and a molecular weight of 397.88 g/mol. Its IUPAC name is 2-(benzylamino)-4-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-(benzylamino)-4-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
PubChem CID126508531
Molecular FormulaC17H20ClN3O4S
Molecular Weight397.88 g/mol
Exact Mass397.09
IUPAC Name2-(benzylamino)-4-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
SMILESCOCCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1NCc1ccccc1
InChIInChI=1S/C17H20ClN3O4S/c1-25-8-7-20-17(22)13-9-16(26(19,23)24)14(18)10-15(13)21-11-12-5-3-2-4-6-12/h2-6,9-10,21H,7-8,11H2,1H3,(H,20,22)(H2,19,23,24)
InChIKeyWFMCWVKJGYZDDZ-UHFFFAOYSA-N
XLogP1.98
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.88
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(benzylamino)-4-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
The IUPAC name of 2-(benzylamino)-4-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide (CID 126508531) is 2-(benzylamino)-4-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2-(benzylamino)-4-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
The canonical SMILES for 2-(benzylamino)-4-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide is COCCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-4-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
The InChIKey is WFMCWVKJGYZDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O4S/c1-25-8-7-20-17(22)13-9-16(26(19,23)24)14(18)10-15(13)21-11-12-5-3-2-4-6-12/h2-6,9-10,21H,7-8,11H2,1H3,(H,20,22)(H2,19,23,24).
What are the key properties of 2-(benzylamino)-4-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
2-(benzylamino)-4-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide has a molecular weight of 397.88 g/mol, XLogP of 1.98, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-4-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 126508531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).