2-chloro-5-(2-morpholin-4-ium-4-ylethylsulfamoyl)benzoate

C13H17ClN2O5S — CID 2348902

IUPAC2-chloro-5-(2-morpholin-4-ium-4-ylethylsulfamoyl)benzoate
SMILESO=C([O-])c1cc(S(=O)(=O)NCC[NH+]2CCOCC2)ccc1Cl
InChIInChI=1S/C13H17ClN2O5S/c14-12-2-1-10(9-11(12)13(17)18)22(19,20)15-3-4-16-5-7-21-8-6-16/h1-2,9,15H,3-8H2,(H,17,18)
InChIKeyYKCWURVQFMZOQQ-UHFFFAOYSA-N
MW348.81 g/mol
LogP-2.10
Rot. Bonds6

About 2-chloro-5-(2-morpholin-4-ium-4-ylethylsulfamoyl)benzoate

2-chloro-5-(2-morpholin-4-ium-4-ylethylsulfamoyl)benzoate (PubChem CID 2348902) has the molecular formula C13H17ClN2O5S and a molecular weight of 348.81 g/mol. Its IUPAC name is 2-chloro-5-(2-morpholin-4-ium-4-ylethylsulfamoyl)benzoate.

Molecular Properties

Compound Name2-chloro-5-(2-morpholin-4-ium-4-ylethylsulfamoyl)benzoate
PubChem CID2348902
Molecular FormulaC13H17ClN2O5S
Molecular Weight348.81 g/mol
Exact Mass348.05
IUPAC Name2-chloro-5-(2-morpholin-4-ium-4-ylethylsulfamoyl)benzoate
SMILESO=C([O-])c1cc(S(=O)(=O)NCC[NH+]2CCOCC2)ccc1Cl
InChIInChI=1S/C13H17ClN2O5S/c14-12-2-1-10(9-11(12)13(17)18)22(19,20)15-3-4-16-5-7-21-8-6-16/h1-2,9,15H,3-8H2,(H,17,18)
InChIKeyYKCWURVQFMZOQQ-UHFFFAOYSA-N
XLogP-2.10
TPSA99.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 5-2.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(2-morpholin-4-ium-4-ylethyl)-3-nitrobenzenesulfonamide
CID 7808723
N-(2-morpholin-4-ium-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 4560728
2,6-dichloro-N-(3-morpholin-4-ium-4-ylpropyl)benzenesulfonamide
CID 2120798
2,5-dichloro-4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide
CID 6971852
2,4,5-trimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide
CID 7381126
8-chloro-4-(2-morpholin-4-ium-4-ylethylamino)quinoline-3-carboxylate
CID 7749027
2-fluoro-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide
CID 7850818
4-bromo-2-chloro-N-(3-morpholin-4-ium-4-ylpropyl)benzenesulfonamide
CID 8025065
2-chloro-5-(2-cyclopentylethylsulfamoyl)benzoic acid
CID 60734449
2-chloro-5-[2-(methanesulfonamido)ethylsulfamoyl]benzoic acid
CID 43420743
2-chloro-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 7286130
2-chloro-5-(2-methylsulfonylethylsulfamoyl)benzoic acid
CID 60920912

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-morpholin-4-ium-4-ylethylsulfamoyl)benzoate?
The IUPAC name of 2-chloro-5-(2-morpholin-4-ium-4-ylethylsulfamoyl)benzoate (CID 2348902) is 2-chloro-5-(2-morpholin-4-ium-4-ylethylsulfamoyl)benzoate.
What is the SMILES notation for 2-chloro-5-(2-morpholin-4-ium-4-ylethylsulfamoyl)benzoate?
The canonical SMILES for 2-chloro-5-(2-morpholin-4-ium-4-ylethylsulfamoyl)benzoate is O=C([O-])c1cc(S(=O)(=O)NCC[NH+]2CCOCC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(2-morpholin-4-ium-4-ylethylsulfamoyl)benzoate?
The InChIKey is YKCWURVQFMZOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O5S/c14-12-2-1-10(9-11(12)13(17)18)22(19,20)15-3-4-16-5-7-21-8-6-16/h1-2,9,15H,3-8H2,(H,17,18).
What are the key properties of 2-chloro-5-(2-morpholin-4-ium-4-ylethylsulfamoyl)benzoate?
2-chloro-5-(2-morpholin-4-ium-4-ylethylsulfamoyl)benzoate has a molecular weight of 348.81 g/mol, XLogP of -2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-morpholin-4-ium-4-ylethylsulfamoyl)benzoate is sourced from PubChem (CID 2348902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).