2-(2-morpholin-4-ylethylamino)-5-sulfamoyl-4-(trifluoromethyl)benzoic acid

C14H18F3N3O5S — CID 154304142

IUPAC2-(2-morpholin-4-ylethylamino)-5-sulfamoyl-4-(trifluoromethyl)benzoic acid
SMILESNS(=O)(=O)c1cc(C(=O)O)c(NCCN2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C14H18F3N3O5S/c15-14(16,17)10-8-11(19-1-2-20-3-5-25-6-4-20)9(13(21)22)7-12(10)26(18,23)24/h7-8,19H,1-6H2,(H,21,22)(H2,18,23,24)
InChIKeyMUYGHFODCWQGIP-UHFFFAOYSA-N
MW397.38 g/mol
LogP0.80
Rot. Bonds6

About 2-(2-morpholin-4-ylethylamino)-5-sulfamoyl-4-(trifluoromethyl)benzoic acid

2-(2-morpholin-4-ylethylamino)-5-sulfamoyl-4-(trifluoromethyl)benzoic acid (PubChem CID 154304142) has the molecular formula C14H18F3N3O5S and a molecular weight of 397.38 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethylamino)-5-sulfamoyl-4-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethylamino)-5-sulfamoyl-4-(trifluoromethyl)benzoic acid
PubChem CID154304142
Molecular FormulaC14H18F3N3O5S
Molecular Weight397.38 g/mol
Exact Mass397.09
IUPAC Name2-(2-morpholin-4-ylethylamino)-5-sulfamoyl-4-(trifluoromethyl)benzoic acid
SMILESNS(=O)(=O)c1cc(C(=O)O)c(NCCN2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C14H18F3N3O5S/c15-14(16,17)10-8-11(19-1-2-20-3-5-25-6-4-20)9(13(21)22)7-12(10)26(18,23)24/h7-8,19H,1-6H2,(H,21,22)(H2,18,23,24)
InChIKeyMUYGHFODCWQGIP-UHFFFAOYSA-N
XLogP0.80
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-3-fluoro-4-(2-morpholin-4-ylethylamino)benzoic acid
CID 107539944
2-methyl-4-(2-morpholin-4-ylethylamino)benzoic acid
CID 81282507
N-(2-morpholin-4-ylethyl)-3-[2-(trifluoromethyl)anilino]propanamide
CID 109016632
2,3-difluoro-4-(3-morpholin-4-ylpropylamino)benzoic acid
CID 79834479
2-bromo-3-fluoro-4-(3-morpholin-4-ylpropylamino)benzoic acid
CID 107539960
4-N-(4-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 156564066
2-hydroxy-5-(2-morpholin-4-ylethylsulfamoyl)benzoic acid
CID 8891748
2-(4-chlorophenyl)-4-(2-morpholin-4-ylethylamino)benzenesulfonamide
CID 70002142
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108960459
5-amino-N-methyl-2-(2-morpholin-4-ylethylamino)benzamide
CID 100655710
3-fluoro-4-(2-morpholin-4-ylethylsulfamoyl)benzoic acid
CID 154741645
2-amino-3-(2-morpholin-4-ylethylamino)benzamide
CID 113332479

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethylamino)-5-sulfamoyl-4-(trifluoromethyl)benzoic acid?
The IUPAC name of 2-(2-morpholin-4-ylethylamino)-5-sulfamoyl-4-(trifluoromethyl)benzoic acid (CID 154304142) is 2-(2-morpholin-4-ylethylamino)-5-sulfamoyl-4-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2-(2-morpholin-4-ylethylamino)-5-sulfamoyl-4-(trifluoromethyl)benzoic acid?
The canonical SMILES for 2-(2-morpholin-4-ylethylamino)-5-sulfamoyl-4-(trifluoromethyl)benzoic acid is NS(=O)(=O)c1cc(C(=O)O)c(NCCN2CCOCC2)cc1C(F)(F)F.
What is the InChIKey of 2-(2-morpholin-4-ylethylamino)-5-sulfamoyl-4-(trifluoromethyl)benzoic acid?
The InChIKey is MUYGHFODCWQGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O5S/c15-14(16,17)10-8-11(19-1-2-20-3-5-25-6-4-20)9(13(21)22)7-12(10)26(18,23)24/h7-8,19H,1-6H2,(H,21,22)(H2,18,23,24).
What are the key properties of 2-(2-morpholin-4-ylethylamino)-5-sulfamoyl-4-(trifluoromethyl)benzoic acid?
2-(2-morpholin-4-ylethylamino)-5-sulfamoyl-4-(trifluoromethyl)benzoic acid has a molecular weight of 397.38 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethylamino)-5-sulfamoyl-4-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 154304142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).