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

C10H12ClFN2O4S — CID 65375166

IUPAC2-chloro-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
SMILESCOCCNC(=O)c1cc(S(N)(=O)=O)c(F)cc1Cl
InChIInChI=1S/C10H12ClFN2O4S/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)
InChIKeyVPRCTDULNGJEJM-UHFFFAOYSA-N
MW310.73 g/mol
LogP0.50
Rot. Bonds5

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

2-chloro-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide (PubChem CID 65375166) has the molecular formula C10H12ClFN2O4S and a molecular weight of 310.73 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
PubChem CID65375166
Molecular FormulaC10H12ClFN2O4S
Molecular Weight310.73 g/mol
Exact Mass310.02
IUPAC Name2-chloro-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
SMILESCOCCNC(=O)c1cc(S(N)(=O)=O)c(F)cc1Cl
InChIInChI=1S/C10H12ClFN2O4S/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)
InChIKeyVPRCTDULNGJEJM-UHFFFAOYSA-N
XLogP0.50
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.73
LogP ≤ 50.50
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-4-fluoro-N-pentyl-5-sulfamoylbenzamide
CID 65373631
2,4-dichloro-N-(3-methoxypropyl)-5-sulfamoylbenzamide
CID 60636009
2-chloro-N-ethyl-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65387832
2-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 47101010
2-chloro-4-fluoro-N-pentan-2-yl-5-sulfamoylbenzamide
CID 65373984
2-chloro-4,5-difluoro-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134029639
2,4-dichloro-N-(1-methoxypropan-2-yl)-5-sulfamoylbenzamide
CID 60637644
3-chloro-N-(2-methoxyethyl)-2-methyl-5-sulfamoylbenzamide
CID 107100880
4-chloro-2-fluoro-N-(2-methoxy-2-methylpropyl)-5-sulfamoylbenzamide
CID 104766743
2,4-dichloro-N-pentyl-5-sulfamoylbenzamide
CID 60635006
2-chloro-N-(2,2-dimethylcyclopropyl)-4-fluoro-5-sulfamoylbenzamide
CID 65387287
4-bromo-2-fluoro-5-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride
CID 65368260

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
The IUPAC name of 2-chloro-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide (CID 65375166) is 2-chloro-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide is COCCNC(=O)c1cc(S(N)(=O)=O)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
The InChIKey is VPRCTDULNGJEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O4S/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-chloro-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
2-chloro-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide has a molecular weight of 310.73 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 65375166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).