N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-nitrophenyl)sulfanylacetamide

C15H11BrIN3O4S — CID 137064628

IUPACN-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-nitrophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C\c1cc(Br)c(O)c(I)c1
InChIInChI=1S/C15H11BrIN3O4S/c16-12-5-9(6-13(17)15(12)22)7-18-19-14(21)8-25-11-3-1-10(2-4-11)20(23)24/h1-7,22H,8H2,(H,19,21)/b18-7-
InChIKeyUUCCPIFBYASEIW-WSVATBPTSA-N
MW536.15 g/mol
LogP3.91
Rot. Bonds6

About N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-nitrophenyl)sulfanylacetamide

N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-nitrophenyl)sulfanylacetamide (PubChem CID 137064628) has the molecular formula C15H11BrIN3O4S and a molecular weight of 536.15 g/mol. Its IUPAC name is N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-nitrophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-nitrophenyl)sulfanylacetamide
PubChem CID137064628
Molecular FormulaC15H11BrIN3O4S
Molecular Weight536.15 g/mol
Exact Mass534.87
IUPAC NameN-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-nitrophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C\c1cc(Br)c(O)c(I)c1
InChIInChI=1S/C15H11BrIN3O4S/c16-12-5-9(6-13(17)15(12)22)7-18-19-14(21)8-25-11-3-1-10(2-4-11)20(23)24/h1-7,22H,8H2,(H,19,21)/b18-7-
InChIKeyUUCCPIFBYASEIW-WSVATBPTSA-N
XLogP3.91
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.15
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-nitrophenyl)sulfanylacetamide 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

N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-(4-nitrophenyl)sulfanylacetamide
CID 137173012
N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-4-nitrobenzamide
CID 137064524
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(4-nitrophenyl)sulfanylacetamide
CID 126106489
2-bromo-6-iodo-4-[(Z)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 137064603
N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide
CID 136832455
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide
CID 136847021
N-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide
CID 136726879
N-[(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)methylideneamino]-2-(4-nitrophenyl)sulfanylacetamide
CID 4595952
2-(4-nitrophenyl)sulfanyl-N-[(E)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide
CID 133170304
3,5-dibromo-2-hydroxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide
CID 5331629
N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 137064523
2-(4-bromophenyl)-N-[(Z)-[3,5-diiodo-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19061266

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-nitrophenyl)sulfanylacetamide?
The IUPAC name of N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-nitrophenyl)sulfanylacetamide (CID 137064628) is N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-nitrophenyl)sulfanylacetamide.
What is the SMILES notation for N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-nitrophenyl)sulfanylacetamide?
The canonical SMILES for N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-nitrophenyl)sulfanylacetamide is O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C\c1cc(Br)c(O)c(I)c1.
What is the InChIKey of N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-nitrophenyl)sulfanylacetamide?
The InChIKey is UUCCPIFBYASEIW-WSVATBPTSA-N. The full InChI is InChI=1S/C15H11BrIN3O4S/c16-12-5-9(6-13(17)15(12)22)7-18-19-14(21)8-25-11-3-1-10(2-4-11)20(23)24/h1-7,22H,8H2,(H,19,21)/b18-7-.
What are the key properties of N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-nitrophenyl)sulfanylacetamide?
N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-nitrophenyl)sulfanylacetamide has a molecular weight of 536.15 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-nitrophenyl)sulfanylacetamide is sourced from PubChem (CID 137064628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).