2-(4-fluorophenyl)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(1H-indol-5-ylmethyl)amino]acetamide

C23H20FN3O5S — CID 170383703

IUPAC2-(4-fluorophenyl)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(1H-indol-5-ylmethyl)amino]acetamide
SMILESO=C(NO)C(c1ccc(F)cc1)N(Cc1ccc2[nH]ccc2c1)S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C23H20FN3O5S/c24-18-4-2-16(3-5-18)22(23(29)26-30)27(33(31,32)20-8-6-19(28)7-9-20)14-15-1-10-21-17(13-15)11-12-25-21/h1-13,22,25,28,30H,14H2,(H,26,29)
InChIKeyRIIZXJXMTKQBFG-UHFFFAOYSA-N
MW469.49 g/mol
LogP3.45
Rot. Bonds7

About 2-(4-fluorophenyl)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(1H-indol-5-ylmethyl)amino]acetamide

2-(4-fluorophenyl)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(1H-indol-5-ylmethyl)amino]acetamide (PubChem CID 170383703) has the molecular formula C23H20FN3O5S and a molecular weight of 469.49 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(1H-indol-5-ylmethyl)amino]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(1H-indol-5-ylmethyl)amino]acetamide
PubChem CID170383703
Molecular FormulaC23H20FN3O5S
Molecular Weight469.49 g/mol
Exact Mass469.11
IUPAC Name2-(4-fluorophenyl)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(1H-indol-5-ylmethyl)amino]acetamide
SMILESO=C(NO)C(c1ccc(F)cc1)N(Cc1ccc2[nH]ccc2c1)S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C23H20FN3O5S/c24-18-4-2-16(3-5-18)22(23(29)26-30)27(33(31,32)20-8-6-19(28)7-9-20)14-15-1-10-21-17(13-15)11-12-25-21/h1-13,22,25,28,30H,14H2,(H,26,29)
InChIKeyRIIZXJXMTKQBFG-UHFFFAOYSA-N
XLogP3.45
TPSA122.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 53.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(1H-indol-5-ylmethyl)amino]-4-methylpentanamide
CID 170380856
N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-2-phenylacetamide
CID 170382376
4-[ethyl(1H-indol-5-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 167885299
(2R)-2-[[4-(dimethylamino)phenyl]methyl-(4-hydroxyphenyl)sulfonylamino]-N-hydroxy-3-thiophen-2-ylpropanamide
CID 170380890
1H-indol-5-ylmethanesulfonamide;sulfuric acid
CID 67052547
methyl 2-fluoro-4-[[(4-fluorophenyl)sulfonyl-pentan-3-ylamino]methyl]benzoate
CID 66978802
(2R)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide
CID 91799153
4-hydroxy-N-[(4-methoxyphenyl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 125116690
(2S)-N-hydroxy-3-methyl-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]butanamide
CID 100984443
(2S)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-4-methylpentanamide
CID 170380866
2-[4-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-2-(1H-indol-6-yl)phenoxy]acetic acid
CID 46898637
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(1H-indol-5-ylsulfonylamino)cyclohexane-1-carboxamide
CID 58074371

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(1H-indol-5-ylmethyl)amino]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(1H-indol-5-ylmethyl)amino]acetamide (CID 170383703) is 2-(4-fluorophenyl)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(1H-indol-5-ylmethyl)amino]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(1H-indol-5-ylmethyl)amino]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(1H-indol-5-ylmethyl)amino]acetamide is O=C(NO)C(c1ccc(F)cc1)N(Cc1ccc2[nH]ccc2c1)S(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(1H-indol-5-ylmethyl)amino]acetamide?
The InChIKey is RIIZXJXMTKQBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O5S/c24-18-4-2-16(3-5-18)22(23(29)26-30)27(33(31,32)20-8-6-19(28)7-9-20)14-15-1-10-21-17(13-15)11-12-25-21/h1-13,22,25,28,30H,14H2,(H,26,29).
What are the key properties of 2-(4-fluorophenyl)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(1H-indol-5-ylmethyl)amino]acetamide?
2-(4-fluorophenyl)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(1H-indol-5-ylmethyl)amino]acetamide has a molecular weight of 469.49 g/mol, XLogP of 3.45, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(1H-indol-5-ylmethyl)amino]acetamide is sourced from PubChem (CID 170383703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).