4-[(4-ethoxyphenyl)sulfonylamino]-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide

C23H19FN4O5S — CID 135982554

IUPAC4-[(4-ethoxyphenyl)sulfonylamino]-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)/N=N/c3c(O)[nH]c4ccc(F)cc34)cc2)cc1
InChIInChI=1S/C23H19FN4O5S/c1-2-33-17-8-10-18(11-9-17)34(31,32)28-16-6-3-14(4-7-16)22(29)27-26-21-19-13-15(24)5-12-20(19)25-23(21)30/h3-13,25,28,30H,2H2,1H3/b27-26+
InChIKeyLYBHRFLYZZIEMW-CYYJNZCTSA-N
MW482.49 g/mol
LogP5.14
Rot. Bonds7

About 4-[(4-ethoxyphenyl)sulfonylamino]-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide

4-[(4-ethoxyphenyl)sulfonylamino]-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide (PubChem CID 135982554) has the molecular formula C23H19FN4O5S and a molecular weight of 482.49 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)sulfonylamino]-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide.

Molecular Properties

Compound Name4-[(4-ethoxyphenyl)sulfonylamino]-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
PubChem CID135982554
Molecular FormulaC23H19FN4O5S
Molecular Weight482.49 g/mol
Exact Mass482.11
IUPAC Name4-[(4-ethoxyphenyl)sulfonylamino]-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)/N=N/c3c(O)[nH]c4ccc(F)cc34)cc2)cc1
InChIInChI=1S/C23H19FN4O5S/c1-2-33-17-8-10-18(11-9-17)34(31,32)28-16-6-3-14(4-7-16)22(29)27-26-21-19-13-15(24)5-12-20(19)25-23(21)30/h3-13,25,28,30H,2H2,1H3/b27-26+
InChIKeyLYBHRFLYZZIEMW-CYYJNZCTSA-N
XLogP5.14
TPSA133.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.49
LogP ≤ 55.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 4-[(4-ethoxyphenyl)sulfonylamino]-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Oxindole-Based Inhibitor 57
CID 135404113
Oxindole-Based Inhibitor 56
CID 135434986
Oxindole-Based Inhibitor 63
CID 135434991
Glycine, N-[(4-ethoxyphenyl)sulfonyl]-N-(4-methylphenyl)-, (1,2-dihydro-2-oxo-3H-indol-3-ylidene)hydrazide (9CI)
CID 1103817
4-{2-[(3Z)-5-{[(4-fluorophenyl)methyl]sulfamoyl}-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}benzoic acid
CID 135924017
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide
CID 135399794
2-(4-chloro-N-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135414531
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 135446053
4-Ethoxy-N-({N'-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)-N-phenylbenzene-1-sulfonamide
CID 135461089
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-N-(4-propoxyphenyl)sulfonylanilino)acetamide
CID 135461099
2-(4-chloro-N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135466581
2-(4-chloro-N-[4-(2-methoxyethoxy)phenyl]sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135469685

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenyl)sulfonylamino]-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide?
The IUPAC name of 4-[(4-ethoxyphenyl)sulfonylamino]-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide (CID 135982554) is 4-[(4-ethoxyphenyl)sulfonylamino]-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide.
What is the SMILES notation for 4-[(4-ethoxyphenyl)sulfonylamino]-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide?
The canonical SMILES for 4-[(4-ethoxyphenyl)sulfonylamino]-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide is CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)/N=N/c3c(O)[nH]c4ccc(F)cc34)cc2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenyl)sulfonylamino]-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide?
The InChIKey is LYBHRFLYZZIEMW-CYYJNZCTSA-N. The full InChI is InChI=1S/C23H19FN4O5S/c1-2-33-17-8-10-18(11-9-17)34(31,32)28-16-6-3-14(4-7-16)22(29)27-26-21-19-13-15(24)5-12-20(19)25-23(21)30/h3-13,25,28,30H,2H2,1H3/b27-26+.
What are the key properties of 4-[(4-ethoxyphenyl)sulfonylamino]-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide?
4-[(4-ethoxyphenyl)sulfonylamino]-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide has a molecular weight of 482.49 g/mol, XLogP of 5.14, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenyl)sulfonylamino]-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide is sourced from PubChem (CID 135982554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).