(Z)-2-[[5-[(3-bromo-4-methoxyphenyl)sulfamoyl]-2-chlorophenyl]diazenyl]-3-hydroxybut-2-enamide

C17H16BrClN4O5S — CID 135675564

IUPAC(Z)-2-[[5-[(3-bromo-4-methoxyphenyl)sulfamoyl]-2-chlorophenyl]diazenyl]-3-hydroxybut-2-enamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(/N=N/C(C(N)=O)=C(/C)O)c2)cc1Br
InChIInChI=1S/C17H16BrClN4O5S/c1-9(24)16(17(20)25)22-21-14-8-11(4-5-13(14)19)29(26,27)23-10-3-6-15(28-2)12(18)7-10/h3-8,23-24H,1-2H3,(H2,20,25)/b16-9-,22-21+
InChIKeyCTZRFUFHFLBQGJ-CWRHKCGHSA-N
MW503.76 g/mol
LogP4.27
Rot. Bonds7

About (Z)-2-[[5-[(3-bromo-4-methoxyphenyl)sulfamoyl]-2-chlorophenyl]diazenyl]-3-hydroxybut-2-enamide

(Z)-2-[[5-[(3-bromo-4-methoxyphenyl)sulfamoyl]-2-chlorophenyl]diazenyl]-3-hydroxybut-2-enamide (PubChem CID 135675564) has the molecular formula C17H16BrClN4O5S and a molecular weight of 503.76 g/mol. Its IUPAC name is (Z)-2-[[5-[(3-bromo-4-methoxyphenyl)sulfamoyl]-2-chlorophenyl]diazenyl]-3-hydroxybut-2-enamide.

Molecular Properties

Compound Name(Z)-2-[[5-[(3-bromo-4-methoxyphenyl)sulfamoyl]-2-chlorophenyl]diazenyl]-3-hydroxybut-2-enamide
PubChem CID135675564
Molecular FormulaC17H16BrClN4O5S
Molecular Weight503.76 g/mol
Exact Mass501.97
IUPAC Name(Z)-2-[[5-[(3-bromo-4-methoxyphenyl)sulfamoyl]-2-chlorophenyl]diazenyl]-3-hydroxybut-2-enamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(/N=N/C(C(N)=O)=C(/C)O)c2)cc1Br
InChIInChI=1S/C17H16BrClN4O5S/c1-9(24)16(17(20)25)22-21-14-8-11(4-5-13(14)19)29(26,27)23-10-3-6-15(28-2)12(18)7-10/h3-8,23-24H,1-2H3,(H2,20,25)/b16-9-,22-21+
InChIKeyCTZRFUFHFLBQGJ-CWRHKCGHSA-N
XLogP4.27
TPSA143.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.76
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-2-[[5-[(3-bromo-4-methoxyphenyl)sulfamoyl]-2-chlorophenyl]diazenyl]-3-hydroxybut-2-enamide 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

5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-methoxybenzenesulfonamide
CID 4832626
3-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 1345813
N-(3-bromo-4-methylphenyl)-3-chloro-4-methoxybenzenesulfonamide
CID 55676131
N-[5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 24656740
3-bromo-4-methoxy-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 39361432
3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(2-chlorophenyl)benzamide
CID 26575177
N-(4-chloro-3-nitrophenyl)-4-methoxy-3-nitrobenzenesulfonamide
CID 18278938
3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 27648289
4-[(4-chloro-3-methoxyphenyl)sulfonylamino]benzoic acid
CID 39845027
3-bromo-N-(2-chloro-6-methylphenyl)-4-methoxybenzenesulfonamide
CID 66256215
3-bromo-N-(2,3-dihydro-1H-inden-5-yl)-4-methoxybenzenesulfonamide
CID 4816110
N-[4-[(3,4-dichlorophenyl)sulfonylamino]-2-methoxyphenyl]acetamide
CID 55902732

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[[5-[(3-bromo-4-methoxyphenyl)sulfamoyl]-2-chlorophenyl]diazenyl]-3-hydroxybut-2-enamide?
The IUPAC name of (Z)-2-[[5-[(3-bromo-4-methoxyphenyl)sulfamoyl]-2-chlorophenyl]diazenyl]-3-hydroxybut-2-enamide (CID 135675564) is (Z)-2-[[5-[(3-bromo-4-methoxyphenyl)sulfamoyl]-2-chlorophenyl]diazenyl]-3-hydroxybut-2-enamide.
What is the SMILES notation for (Z)-2-[[5-[(3-bromo-4-methoxyphenyl)sulfamoyl]-2-chlorophenyl]diazenyl]-3-hydroxybut-2-enamide?
The canonical SMILES for (Z)-2-[[5-[(3-bromo-4-methoxyphenyl)sulfamoyl]-2-chlorophenyl]diazenyl]-3-hydroxybut-2-enamide is COc1ccc(NS(=O)(=O)c2ccc(Cl)c(/N=N/C(C(N)=O)=C(/C)O)c2)cc1Br.
What is the InChIKey of (Z)-2-[[5-[(3-bromo-4-methoxyphenyl)sulfamoyl]-2-chlorophenyl]diazenyl]-3-hydroxybut-2-enamide?
The InChIKey is CTZRFUFHFLBQGJ-CWRHKCGHSA-N. The full InChI is InChI=1S/C17H16BrClN4O5S/c1-9(24)16(17(20)25)22-21-14-8-11(4-5-13(14)19)29(26,27)23-10-3-6-15(28-2)12(18)7-10/h3-8,23-24H,1-2H3,(H2,20,25)/b16-9-,22-21+.
What are the key properties of (Z)-2-[[5-[(3-bromo-4-methoxyphenyl)sulfamoyl]-2-chlorophenyl]diazenyl]-3-hydroxybut-2-enamide?
(Z)-2-[[5-[(3-bromo-4-methoxyphenyl)sulfamoyl]-2-chlorophenyl]diazenyl]-3-hydroxybut-2-enamide has a molecular weight of 503.76 g/mol, XLogP of 4.27, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[[5-[(3-bromo-4-methoxyphenyl)sulfamoyl]-2-chlorophenyl]diazenyl]-3-hydroxybut-2-enamide is sourced from PubChem (CID 135675564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).