2-[(4-ethoxyphenyl)sulfonylamino]-5-morpholin-4-ylbenzoic acid

C19H22N2O6S — CID 46325373

IUPAC2-[(4-ethoxyphenyl)sulfonylamino]-5-morpholin-4-ylbenzoic acid
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2C(=O)O)cc1
InChIInChI=1S/C19H22N2O6S/c1-2-27-15-4-6-16(7-5-15)28(24,25)20-18-8-3-14(13-17(18)19(22)23)21-9-11-26-12-10-21/h3-8,13,20H,2,9-12H2,1H3,(H,22,23)
InChIKeyHMVGAZMCUHWZKL-UHFFFAOYSA-N
MW406.46 g/mol
LogP2.42
Rot. Bonds7

About 2-[(4-ethoxyphenyl)sulfonylamino]-5-morpholin-4-ylbenzoic acid

2-[(4-ethoxyphenyl)sulfonylamino]-5-morpholin-4-ylbenzoic acid (PubChem CID 46325373) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)sulfonylamino]-5-morpholin-4-ylbenzoic acid.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)sulfonylamino]-5-morpholin-4-ylbenzoic acid
PubChem CID46325373
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC Name2-[(4-ethoxyphenyl)sulfonylamino]-5-morpholin-4-ylbenzoic acid
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2C(=O)O)cc1
InChIInChI=1S/C19H22N2O6S/c1-2-27-15-4-6-16(7-5-15)28(24,25)20-18-8-3-14(13-17(18)19(22)23)21-9-11-26-12-10-21/h3-8,13,20H,2,9-12H2,1H3,(H,22,23)
InChIKeyHMVGAZMCUHWZKL-UHFFFAOYSA-N
XLogP2.42
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzenesulfonamido)-5-morpholin-4-ylbenzoic acid
CID 45302820
4-ethoxy-N-(2-methoxy-5-morpholin-4-ylphenyl)benzenesulfonamide
CID 110359849
5-(4-benzylpiperidin-1-yl)-2-[(4-ethoxyphenyl)sulfonylamino]benzoic acid
CID 46325369
3-[(4-ethoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 50767046
2-[(4-ethoxyphenyl)sulfonylamino]-5-[4-(2-fluorophenyl)piperazin-1-yl]benzoic acid;2,2,2-trifluoroacetic acid
CID 146057835
5-(4-cyclohexylpiperazin-1-yl)-2-[(4-ethoxyphenyl)sulfonylamino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146057839
N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-ethoxybenzenesulfonamide
CID 50832756
2-[(4-methoxyphenyl)sulfonylamino]-5-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)benzoic acid
CID 46325258
2-[[4-(2-methylpropyl)phenyl]sulfonylamino]-5-pyrrolidin-1-ylbenzoic acid
CID 46325343
5-(azepan-1-yl)-2-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoic acid
CID 46325342
5-(4-phenylpiperazin-1-yl)-2-[(4-propylphenyl)sulfonylamino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146057862
2-[(4-chlorophenyl)sulfonylamino]-5-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]benzoic acid
CID 50781011

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)sulfonylamino]-5-morpholin-4-ylbenzoic acid?
The IUPAC name of 2-[(4-ethoxyphenyl)sulfonylamino]-5-morpholin-4-ylbenzoic acid (CID 46325373) is 2-[(4-ethoxyphenyl)sulfonylamino]-5-morpholin-4-ylbenzoic acid.
What is the SMILES notation for 2-[(4-ethoxyphenyl)sulfonylamino]-5-morpholin-4-ylbenzoic acid?
The canonical SMILES for 2-[(4-ethoxyphenyl)sulfonylamino]-5-morpholin-4-ylbenzoic acid is CCOc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2C(=O)O)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)sulfonylamino]-5-morpholin-4-ylbenzoic acid?
The InChIKey is HMVGAZMCUHWZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-2-27-15-4-6-16(7-5-15)28(24,25)20-18-8-3-14(13-17(18)19(22)23)21-9-11-26-12-10-21/h3-8,13,20H,2,9-12H2,1H3,(H,22,23).
What are the key properties of 2-[(4-ethoxyphenyl)sulfonylamino]-5-morpholin-4-ylbenzoic acid?
2-[(4-ethoxyphenyl)sulfonylamino]-5-morpholin-4-ylbenzoic acid has a molecular weight of 406.46 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)sulfonylamino]-5-morpholin-4-ylbenzoic acid is sourced from PubChem (CID 46325373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).