N-hydroxy-3-(1H-indol-3-yl)-2-[[4-(4-iodophenyl)phenyl]sulfonylamino]propanamide

C23H20IN3O4S — CID 11467131

IUPACN-hydroxy-3-(1H-indol-3-yl)-2-[[4-(4-iodophenyl)phenyl]sulfonylamino]propanamide
SMILESO=C(NO)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(-c2ccc(I)cc2)cc1
InChIInChI=1S/C23H20IN3O4S/c24-18-9-5-15(6-10-18)16-7-11-19(12-8-16)32(30,31)27-22(23(28)26-29)13-17-14-25-21-4-2-1-3-20(17)21/h1-12,14,22,25,27,29H,13H2,(H,26,28)
InChIKeyBXVZTKHGECRXMY-UHFFFAOYSA-N
MW561.40 g/mol
LogP3.83
Rot. Bonds7

About N-hydroxy-3-(1H-indol-3-yl)-2-[[4-(4-iodophenyl)phenyl]sulfonylamino]propanamide

N-hydroxy-3-(1H-indol-3-yl)-2-[[4-(4-iodophenyl)phenyl]sulfonylamino]propanamide (PubChem CID 11467131) has the molecular formula C23H20IN3O4S and a molecular weight of 561.40 g/mol. Its IUPAC name is N-hydroxy-3-(1H-indol-3-yl)-2-[[4-(4-iodophenyl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-(1H-indol-3-yl)-2-[[4-(4-iodophenyl)phenyl]sulfonylamino]propanamide
PubChem CID11467131
Molecular FormulaC23H20IN3O4S
Molecular Weight561.40 g/mol
Exact Mass561.02
IUPAC NameN-hydroxy-3-(1H-indol-3-yl)-2-[[4-(4-iodophenyl)phenyl]sulfonylamino]propanamide
SMILESO=C(NO)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(-c2ccc(I)cc2)cc1
InChIInChI=1S/C23H20IN3O4S/c24-18-9-5-15(6-10-18)16-7-11-19(12-8-16)32(30,31)27-22(23(28)26-29)13-17-14-25-21-4-2-1-3-20(17)21/h1-12,14,22,25,27,29H,13H2,(H,26,28)
InChIKeyBXVZTKHGECRXMY-UHFFFAOYSA-N
XLogP3.83
TPSA111.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.40
LogP ≤ 53.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-3-(1H-indol-3-yl)-2-[[4-(4-iodophenyl)phenyl]sulfonylamino]propanoate
CID 24916932
2-(benzenesulfonamido)-N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 18979112
(2S)-3-(1H-indol-3-yl)-2-[(4-phenylphenyl)sulfonylamino]propanoic acid
CID 2211096
(2R)-N-hydroxy-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)sulfonylamino]propanamide
CID 10173762
N-(4-chloropentyl)-3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 155169179
3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid
CID 5144045
(2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid
CID 983564
(2,5-dioxopyrrolidin-1-yl) (2S)-3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 1218122
4-bromo-N-[3-(1H-indol-3-yl)-1-oxo-1-(3-phenylpyrazol-1-yl)propan-2-yl]benzenesulfonamide
CID 155168771
3-(1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanamide
CID 142635284
methyl (2R)-2-[(4-ethenylphenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoate
CID 11794436
(2S)-3-(1H-indol-3-yl)-2-[(3-methylphenyl)sulfonylamino]propanoate
CID 2564289

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-(1H-indol-3-yl)-2-[[4-(4-iodophenyl)phenyl]sulfonylamino]propanamide?
The IUPAC name of N-hydroxy-3-(1H-indol-3-yl)-2-[[4-(4-iodophenyl)phenyl]sulfonylamino]propanamide (CID 11467131) is N-hydroxy-3-(1H-indol-3-yl)-2-[[4-(4-iodophenyl)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-hydroxy-3-(1H-indol-3-yl)-2-[[4-(4-iodophenyl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for N-hydroxy-3-(1H-indol-3-yl)-2-[[4-(4-iodophenyl)phenyl]sulfonylamino]propanamide is O=C(NO)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(-c2ccc(I)cc2)cc1.
What is the InChIKey of N-hydroxy-3-(1H-indol-3-yl)-2-[[4-(4-iodophenyl)phenyl]sulfonylamino]propanamide?
The InChIKey is BXVZTKHGECRXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20IN3O4S/c24-18-9-5-15(6-10-18)16-7-11-19(12-8-16)32(30,31)27-22(23(28)26-29)13-17-14-25-21-4-2-1-3-20(17)21/h1-12,14,22,25,27,29H,13H2,(H,26,28).
What are the key properties of N-hydroxy-3-(1H-indol-3-yl)-2-[[4-(4-iodophenyl)phenyl]sulfonylamino]propanamide?
N-hydroxy-3-(1H-indol-3-yl)-2-[[4-(4-iodophenyl)phenyl]sulfonylamino]propanamide has a molecular weight of 561.40 g/mol, XLogP of 3.83, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(1H-indol-3-yl)-2-[[4-(4-iodophenyl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 11467131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).