2-(benzenesulfonamido)-5-morpholin-4-ylbenzoic acid

C17H18N2O5S — CID 45302820

IUPAC2-(benzenesulfonamido)-5-morpholin-4-ylbenzoic acid
SMILESO=C(O)c1cc(N2CCOCC2)ccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18N2O5S/c20-17(21)15-12-13(19-8-10-24-11-9-19)6-7-16(15)18-25(22,23)14-4-2-1-3-5-14/h1-7,12,18H,8-11H2,(H,20,21)
InChIKeyKVSULORAGNGSIY-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.02
Rot. Bonds5

About 2-(benzenesulfonamido)-5-morpholin-4-ylbenzoic acid

2-(benzenesulfonamido)-5-morpholin-4-ylbenzoic acid (PubChem CID 45302820) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-5-morpholin-4-ylbenzoic acid.

Molecular Properties

Compound Name2-(benzenesulfonamido)-5-morpholin-4-ylbenzoic acid
PubChem CID45302820
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name2-(benzenesulfonamido)-5-morpholin-4-ylbenzoic acid
SMILESO=C(O)c1cc(N2CCOCC2)ccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18N2O5S/c20-17(21)15-12-13(19-8-10-24-11-9-19)6-7-16(15)18-25(22,23)14-4-2-1-3-5-14/h1-7,12,18H,8-11H2,(H,20,21)
InChIKeyKVSULORAGNGSIY-UHFFFAOYSA-N
XLogP2.02
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzenesulfonamido)-5-(4-phenylpiperazin-1-yl)benzoic acid;2,2,2-trifluoroacetic acid
CID 146057681
2-[(4-ethoxyphenyl)sulfonylamino]-5-morpholin-4-ylbenzoic acid
CID 46325373
N-(2-chloro-5-morpholin-4-ylphenyl)benzenesulfonamide
CID 110362791
N-(2-methyl-5-morpholin-4-ylphenyl)benzenesulfonamide
CID 110362516
2-[(4-chlorophenyl)sulfonylamino]-5-morpholin-4-yl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 18328751
5-(4-phenylpiperazin-1-yl)-2-[(4-propylphenyl)sulfonylamino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146057862
2-[[4-(2-methylpropyl)phenyl]sulfonylamino]-5-pyrrolidin-1-ylbenzoic acid
CID 46325343
4-morpholin-4-yl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 21173992
5-(azepan-1-yl)-2-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoic acid
CID 46325342
3-[(2-methoxy-5-morpholin-4-ylphenyl)sulfamoyl]benzoic acid
CID 110613237
2-[(3,4-dimethylphenyl)sulfonylamino]-5-(4-methylpiperazin-1-yl)benzoic acid
CID 50780938
5-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 46325158

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-5-morpholin-4-ylbenzoic acid?
The IUPAC name of 2-(benzenesulfonamido)-5-morpholin-4-ylbenzoic acid (CID 45302820) is 2-(benzenesulfonamido)-5-morpholin-4-ylbenzoic acid.
What is the SMILES notation for 2-(benzenesulfonamido)-5-morpholin-4-ylbenzoic acid?
The canonical SMILES for 2-(benzenesulfonamido)-5-morpholin-4-ylbenzoic acid is O=C(O)c1cc(N2CCOCC2)ccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonamido)-5-morpholin-4-ylbenzoic acid?
The InChIKey is KVSULORAGNGSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c20-17(21)15-12-13(19-8-10-24-11-9-19)6-7-16(15)18-25(22,23)14-4-2-1-3-5-14/h1-7,12,18H,8-11H2,(H,20,21).
What are the key properties of 2-(benzenesulfonamido)-5-morpholin-4-ylbenzoic acid?
2-(benzenesulfonamido)-5-morpholin-4-ylbenzoic acid has a molecular weight of 362.41 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-5-morpholin-4-ylbenzoic acid is sourced from PubChem (CID 45302820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).