N-[1-[2-[3-[(2-chlorophenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide

C21H25ClN4O5S — CID 24654446

IUPACN-[1-[2-[3-[(2-chlorophenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C21H25ClN4O5S/c1-13(23-20(29)21(2,3)4)18(27)24-25-19(28)14-8-7-9-15(12-14)32(30,31)26-17-11-6-5-10-16(17)22/h5-13,26H,1-4H3,(H,23,29)(H,24,27)(H,25,28)
InChIKeyTZUBEHJMRWWTOF-UHFFFAOYSA-N
MW480.97 g/mol
LogP2.45
Rot. Bonds6

About N-[1-[2-[3-[(2-chlorophenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide

N-[1-[2-[3-[(2-chlorophenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide (PubChem CID 24654446) has the molecular formula C21H25ClN4O5S and a molecular weight of 480.97 g/mol. Its IUPAC name is N-[1-[2-[3-[(2-chlorophenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[2-[3-[(2-chlorophenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
PubChem CID24654446
Molecular FormulaC21H25ClN4O5S
Molecular Weight480.97 g/mol
Exact Mass480.12
IUPAC NameN-[1-[2-[3-[(2-chlorophenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C21H25ClN4O5S/c1-13(23-20(29)21(2,3)4)18(27)24-25-19(28)14-8-7-9-15(12-14)32(30,31)26-17-11-6-5-10-16(17)22/h5-13,26H,1-4H3,(H,23,29)(H,24,27)(H,25,28)
InChIKeyTZUBEHJMRWWTOF-UHFFFAOYSA-N
XLogP2.45
TPSA133.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.97
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chlorophenyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 43016560
[(2S)-1-[2-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]urea
CID 2520940
3-[(butanoylamino)carbamoyl]-N-(2-chlorophenyl)benzenesulfonamide
CID 24540511
N-(2-chlorophenyl)-3-[(furan-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 24539137
3-[(2-chlorophenyl)sulfamoyl]-N-[(2S)-2-hydroxy-3-methylbutyl]benzamide
CID 97012345
3-[(2-chlorophenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 46691959
3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide
CID 9060965
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2687813
N-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 18106251
N-(2-chlorophenyl)-3-[(N-methylanilino)carbamoyl]benzenesulfonamide
CID 9479518
3-[(2-chlorophenyl)sulfamoyl]-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide
CID 55711291
3-[(2-chlorophenyl)sulfamoyl]-N-cyclopentylbenzamide
CID 9214750

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[3-[(2-chlorophenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[2-[3-[(2-chlorophenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide (CID 24654446) is N-[1-[2-[3-[(2-chlorophenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[2-[3-[(2-chlorophenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[2-[3-[(2-chlorophenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide is CC(NC(=O)C(C)(C)C)C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of N-[1-[2-[3-[(2-chlorophenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is TZUBEHJMRWWTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O5S/c1-13(23-20(29)21(2,3)4)18(27)24-25-19(28)14-8-7-9-15(12-14)32(30,31)26-17-11-6-5-10-16(17)22/h5-13,26H,1-4H3,(H,23,29)(H,24,27)(H,25,28).
What are the key properties of N-[1-[2-[3-[(2-chlorophenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
N-[1-[2-[3-[(2-chlorophenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 480.97 g/mol, XLogP of 2.45, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[3-[(2-chlorophenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 24654446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).