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

C10H13ClN2O4S — CID 47101010

IUPAC2-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
SMILESCOCCNC(=O)c1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C10H13ClN2O4S/c1-17-5-4-13-10(14)8-6-7(18(12,15)16)2-3-9(8)11/h2-3,6H,4-5H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeySJJNUIQALHCDQE-UHFFFAOYSA-N
MW292.74 g/mol
LogP0.36
Rot. Bonds5

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

2-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide (PubChem CID 47101010) has the molecular formula C10H13ClN2O4S and a molecular weight of 292.74 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
PubChem CID47101010
Molecular FormulaC10H13ClN2O4S
Molecular Weight292.74 g/mol
Exact Mass292.03
IUPAC Name2-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
SMILESCOCCNC(=O)c1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C10H13ClN2O4S/c1-17-5-4-13-10(14)8-6-7(18(12,15)16)2-3-9(8)11/h2-3,6H,4-5H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeySJJNUIQALHCDQE-UHFFFAOYSA-N
XLogP0.36
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 50.36
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

2-chloro-N-(2-propan-2-yloxyethyl)-5-sulfamoylbenzamide
CID 104600938
2-bromo-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 31540706
3-chloro-N-(2-methoxyethyl)-2-methyl-5-sulfamoylbenzamide
CID 107100880
5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-methoxyethyl)benzamide
CID 46387480
2-chloro-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 47101886
2-chloro-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65375166
4-chloro-3-(2-ethoxyethylcarbamoyl)benzenesulfonyl chloride
CID 65371525
2-chloro-N-(2-ethoxy-2-methylpropyl)-5-sulfamoylbenzamide
CID 114944541
4-chloro-3-(2-propan-2-yloxyethylcarbamoyl)benzenesulfonyl chloride
CID 104766605
2-chloro-5-(diethylsulfamoyl)-N-(4-methoxybutyl)benzamide
CID 55716614
2,4-dichloro-N-(3-methoxypropyl)-5-sulfamoylbenzamide
CID 60636009
2-ethoxy-N-(2-ethoxyethyl)-5-sulfamoylbenzamide
CID 65388369

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
The IUPAC name of 2-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide (CID 47101010) is 2-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
The canonical SMILES for 2-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide is COCCNC(=O)c1cc(S(N)(=O)=O)ccc1Cl.
What is the InChIKey of 2-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
The InChIKey is SJJNUIQALHCDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O4S/c1-17-5-4-13-10(14)8-6-7(18(12,15)16)2-3-9(8)11/h2-3,6H,4-5H2,1H3,(H,13,14)(H2,12,15,16).
What are the key properties of 2-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
2-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide has a molecular weight of 292.74 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 47101010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).