5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(4-hexoxyphenyl)benzamide

C25H26Cl2N2O4S — CID 22646312

IUPAC5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(4-hexoxyphenyl)benzamide
SMILESCCCCCCOc1ccc(NC(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H26Cl2N2O4S/c1-2-3-4-5-16-33-21-11-9-20(10-12-21)28-25(30)23-17-19(27)8-15-24(23)29-34(31,32)22-13-6-18(26)7-14-22/h6-15,17,29H,2-5,16H2,1H3,(H,28,30)
InChIKeyZRBANMSIDBWJOI-UHFFFAOYSA-N
MW521.47 g/mol
LogP7.01
Rot. Bonds11

About 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(4-hexoxyphenyl)benzamide

5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(4-hexoxyphenyl)benzamide (PubChem CID 22646312) has the molecular formula C25H26Cl2N2O4S and a molecular weight of 521.47 g/mol. Its IUPAC name is 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(4-hexoxyphenyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(4-hexoxyphenyl)benzamide
PubChem CID22646312
Molecular FormulaC25H26Cl2N2O4S
Molecular Weight521.47 g/mol
Exact Mass520.10
IUPAC Name5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(4-hexoxyphenyl)benzamide
SMILESCCCCCCOc1ccc(NC(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H26Cl2N2O4S/c1-2-3-4-5-16-33-21-11-9-20(10-12-21)28-25(30)23-17-19(27)8-15-24(23)29-34(31,32)22-13-6-18(26)7-14-22/h6-15,17,29H,2-5,16H2,1H3,(H,28,30)
InChIKeyZRBANMSIDBWJOI-UHFFFAOYSA-N
XLogP7.01
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.47
LogP ≤ 57.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(4-hexoxyphenyl)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

ethyl 4-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate
CID 15872311
N-(4-carbamoylphenyl)-5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 22646280
2-(diethylamino)ethyl 4-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate
CID 22646343
5-chloro-N-[4-(4-chlorophenoxy)phenyl]-2-(naphthalen-2-ylsulfonylamino)benzamide
CID 139818443
2-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 177311382
5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(3,4,5-trifluorophenyl)benzamide
CID 22646340
methyl 2-[(4-hexadecoxyphenyl)sulfonylamino]benzoate
CID 15002142
ethyl 3-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate
CID 22646291
5-bromo-2-hexoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17343317
2-chloro-4,5-difluoro-N-(4-pentoxyphenyl)benzamide
CID 600447
4-heptoxy-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 4950690
N-(3,4-dihydroxyphenyl)-4-octadecoxybenzenesulfonamide
CID 71344674

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(4-hexoxyphenyl)benzamide?
The IUPAC name of 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(4-hexoxyphenyl)benzamide (CID 22646312) is 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(4-hexoxyphenyl)benzamide.
What is the SMILES notation for 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(4-hexoxyphenyl)benzamide?
The canonical SMILES for 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(4-hexoxyphenyl)benzamide is CCCCCCOc1ccc(NC(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(4-hexoxyphenyl)benzamide?
The InChIKey is ZRBANMSIDBWJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N2O4S/c1-2-3-4-5-16-33-21-11-9-20(10-12-21)28-25(30)23-17-19(27)8-15-24(23)29-34(31,32)22-13-6-18(26)7-14-22/h6-15,17,29H,2-5,16H2,1H3,(H,28,30).
What are the key properties of 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(4-hexoxyphenyl)benzamide?
5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(4-hexoxyphenyl)benzamide has a molecular weight of 521.47 g/mol, XLogP of 7.01, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(4-hexoxyphenyl)benzamide is sourced from PubChem (CID 22646312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).