[2-oxo-2-[2-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoyl]hydrazinyl]ethyl]urea

C17H16F3N5O5S — CID 4853728

IUPAC[2-oxo-2-[2-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoyl]hydrazinyl]ethyl]urea
SMILESNC(=O)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H16F3N5O5S/c18-17(19,20)11-4-2-5-12(8-11)25-31(29,30)13-6-1-3-10(7-13)15(27)24-23-14(26)9-22-16(21)28/h1-8,25H,9H2,(H,23,26)(H,24,27)(H3,21,22,28)
InChIKeyPEZGVMHKMPOKDV-UHFFFAOYSA-N
MW459.41 g/mol
LogP0.94
Rot. Bonds6

About [2-oxo-2-[2-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoyl]hydrazinyl]ethyl]urea

[2-oxo-2-[2-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoyl]hydrazinyl]ethyl]urea (PubChem CID 4853728) has the molecular formula C17H16F3N5O5S and a molecular weight of 459.41 g/mol. Its IUPAC name is [2-oxo-2-[2-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoyl]hydrazinyl]ethyl]urea.

Molecular Properties

Compound Name[2-oxo-2-[2-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoyl]hydrazinyl]ethyl]urea
PubChem CID4853728
Molecular FormulaC17H16F3N5O5S
Molecular Weight459.41 g/mol
Exact Mass459.08
IUPAC Name[2-oxo-2-[2-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoyl]hydrazinyl]ethyl]urea
SMILESNC(=O)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H16F3N5O5S/c18-17(19,20)11-4-2-5-12(8-11)25-31(29,30)13-6-1-3-10(7-13)15(27)24-23-14(26)9-22-16(21)28/h1-8,25H,9H2,(H,23,26)(H,24,27)(H3,21,22,28)
InChIKeyPEZGVMHKMPOKDV-UHFFFAOYSA-N
XLogP0.94
TPSA159.49 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.41
LogP ≤ 50.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-oxo-2-[2-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoyl]hydrazinyl]ethyl]urea 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

3-(Hydrazinecarbonyl)-N-(3-(trifluoromethyl)phenyl)benzenesulfonamide
CID 4464464
N-[3-[(4-fluoroanilino)carbamoyl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 141753843
N-[3-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 141753847
N-[3-[(2-fluoroanilino)carbamoyl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 141753849
N-[3-[[(2-fluorobenzoyl)amino]carbamoyl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 141753851
N-(3,4-Difluorophenyl)-2-{[3-(ethylsulfamoyl)phenyl]formamido}acetamide
CID 17490275
N-[1-[cyano(methyl)amino]-4-methyl-1-oxopentan-2-yl]-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 54573592
1-[2-(Benzenesulfonamido)ethyl]-3-[[3-(trifluoromethyl)benzoyl]amino]urea
CID 137977652
4-amino-3-fluoro-N-[2-[(3-methylphenyl)sulfonylcarbamoylamino]ethyl]benzamide
CID 177945270
N-[(2R)-butan-2-yl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 2311348
N-[(2S)-butan-2-yl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 2311350
N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 2318816

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoyl]hydrazinyl]ethyl]urea?
The IUPAC name of [2-oxo-2-[2-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoyl]hydrazinyl]ethyl]urea (CID 4853728) is [2-oxo-2-[2-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoyl]hydrazinyl]ethyl]urea.
What is the SMILES notation for [2-oxo-2-[2-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoyl]hydrazinyl]ethyl]urea?
The canonical SMILES for [2-oxo-2-[2-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoyl]hydrazinyl]ethyl]urea is NC(=O)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of [2-oxo-2-[2-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoyl]hydrazinyl]ethyl]urea?
The InChIKey is PEZGVMHKMPOKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O5S/c18-17(19,20)11-4-2-5-12(8-11)25-31(29,30)13-6-1-3-10(7-13)15(27)24-23-14(26)9-22-16(21)28/h1-8,25H,9H2,(H,23,26)(H,24,27)(H3,21,22,28).
What are the key properties of [2-oxo-2-[2-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoyl]hydrazinyl]ethyl]urea?
[2-oxo-2-[2-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoyl]hydrazinyl]ethyl]urea has a molecular weight of 459.41 g/mol, XLogP of 0.94, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoyl]hydrazinyl]ethyl]urea is sourced from PubChem (CID 4853728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).