4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-[3-(4-sulfamoylphenoxy)propyl]benzamide

C24H22ClF3N4O5S — CID 155529036

IUPAC4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-[3-(4-sulfamoylphenoxy)propyl]benzamide
SMILESNS(=O)(=O)c1ccc(OCCCNC(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1
InChIInChI=1S/C24H22ClF3N4O5S/c25-21-11-6-17(14-20(21)24(26,27)28)32-23(34)31-16-4-2-15(3-5-16)22(33)30-12-1-13-37-18-7-9-19(10-8-18)38(29,35)36/h2-11,14H,1,12-13H2,(H,30,33)(H2,29,35,36)(H2,31,32,34)
InChIKeyLERLZACAVSWHNG-UHFFFAOYSA-N
MW570.98 g/mol
LogP4.85
Rot. Bonds9

About 4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-[3-(4-sulfamoylphenoxy)propyl]benzamide

4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-[3-(4-sulfamoylphenoxy)propyl]benzamide (PubChem CID 155529036) has the molecular formula C24H22ClF3N4O5S and a molecular weight of 570.98 g/mol. Its IUPAC name is 4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-[3-(4-sulfamoylphenoxy)propyl]benzamide.

Molecular Properties

Compound Name4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-[3-(4-sulfamoylphenoxy)propyl]benzamide
PubChem CID155529036
Molecular FormulaC24H22ClF3N4O5S
Molecular Weight570.98 g/mol
Exact Mass570.10
IUPAC Name4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-[3-(4-sulfamoylphenoxy)propyl]benzamide
SMILESNS(=O)(=O)c1ccc(OCCCNC(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1
InChIInChI=1S/C24H22ClF3N4O5S/c25-21-11-6-17(14-20(21)24(26,27)28)32-23(34)31-16-4-2-15(3-5-16)22(33)30-12-1-13-37-18-7-9-19(10-8-18)38(29,35)36/h2-11,14H,1,12-13H2,(H,30,33)(H2,29,35,36)(H2,31,32,34)
InChIKeyLERLZACAVSWHNG-UHFFFAOYSA-N
XLogP4.85
TPSA139.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.98
LogP ≤ 54.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-[3-(4-sulfamoylphenoxy)propyl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-[3-(4-sulfamoylphenoxy)propyl]benzamide?
The IUPAC name of 4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-[3-(4-sulfamoylphenoxy)propyl]benzamide (CID 155529036) is 4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-[3-(4-sulfamoylphenoxy)propyl]benzamide.
What is the SMILES notation for 4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-[3-(4-sulfamoylphenoxy)propyl]benzamide?
The canonical SMILES for 4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-[3-(4-sulfamoylphenoxy)propyl]benzamide is NS(=O)(=O)c1ccc(OCCCNC(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1.
What is the InChIKey of 4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-[3-(4-sulfamoylphenoxy)propyl]benzamide?
The InChIKey is LERLZACAVSWHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF3N4O5S/c25-21-11-6-17(14-20(21)24(26,27)28)32-23(34)31-16-4-2-15(3-5-16)22(33)30-12-1-13-37-18-7-9-19(10-8-18)38(29,35)36/h2-11,14H,1,12-13H2,(H,30,33)(H2,29,35,36)(H2,31,32,34).
What are the key properties of 4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-[3-(4-sulfamoylphenoxy)propyl]benzamide?
4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-[3-(4-sulfamoylphenoxy)propyl]benzamide has a molecular weight of 570.98 g/mol, XLogP of 4.85, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-[3-(4-sulfamoylphenoxy)propyl]benzamide is sourced from PubChem (CID 155529036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).