3-[(4-chlorophenyl)sulfonylamino]-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-hydroxypropanamide

C19H26ClN3O7S2 — CID 54394714

IUPAC3-[(4-chlorophenyl)sulfonylamino]-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-hydroxypropanamide
SMILESCC1(C)C2CCC1(CS(=O)(=O)NC(CNS(=O)(=O)c1ccc(Cl)cc1)C(=O)NO)C(=O)C2
InChIInChI=1S/C19H26ClN3O7S2/c1-18(2)12-7-8-19(18,16(24)9-12)11-31(27,28)23-15(17(25)22-26)10-21-32(29,30)14-5-3-13(20)4-6-14/h3-6,12,15,21,23,26H,7-11H2,1-2H3,(H,22,25)
InChIKeyVJCVKERUMZPLCK-UHFFFAOYSA-N
MW508.02 g/mol
LogP0.81
Rot. Bonds9

About 3-[(4-chlorophenyl)sulfonylamino]-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-hydroxypropanamide

3-[(4-chlorophenyl)sulfonylamino]-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-hydroxypropanamide (PubChem CID 54394714) has the molecular formula C19H26ClN3O7S2 and a molecular weight of 508.02 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylamino]-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-hydroxypropanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylamino]-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-hydroxypropanamide
PubChem CID54394714
Molecular FormulaC19H26ClN3O7S2
Molecular Weight508.02 g/mol
Exact Mass507.09
IUPAC Name3-[(4-chlorophenyl)sulfonylamino]-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-hydroxypropanamide
SMILESCC1(C)C2CCC1(CS(=O)(=O)NC(CNS(=O)(=O)c1ccc(Cl)cc1)C(=O)NO)C(=O)C2
InChIInChI=1S/C19H26ClN3O7S2/c1-18(2)12-7-8-19(18,16(24)9-12)11-31(27,28)23-15(17(25)22-26)10-21-32(29,30)14-5-3-13(20)4-6-14/h3-6,12,15,21,23,26H,7-11H2,1-2H3,(H,22,25)
InChIKeyVJCVKERUMZPLCK-UHFFFAOYSA-N
XLogP0.81
TPSA158.74 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.02
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-hydroxy-2-(naphthalen-1-ylsulfonylamino)propanamide
CID 54283206
N-[2-(4-chlorophenyl)ethyl]-1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
CID 2422576
3-[(4-chlorophenyl)sulfonylamino]-N-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 22004248
2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-4-oxopentanoic acid
CID 141007098
N-[4-[[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]phenyl]sulfonylacetamide
CID 27059097
(2S)-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-4-methylsulfonylbutanoic acid
CID 22880024
N-(3,5-dichlorophenyl)-1-[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
CID 23430829
2-[[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]acetic acid
CID 98219170
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-1-phenylpropyl)methanesulfonamide
CID 59854274
1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]methanesulfonamide
CID 100845722
N-cyclohexyl-4-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]benzenesulfonamide
CID 4279280
N-(4-chlorophenyl)-3-[[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-4-morpholin-4-ylbenzenesulfonamide
CID 97354195

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-hydroxypropanamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-hydroxypropanamide (CID 54394714) is 3-[(4-chlorophenyl)sulfonylamino]-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-hydroxypropanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylamino]-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-hydroxypropanamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylamino]-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-hydroxypropanamide is CC1(C)C2CCC1(CS(=O)(=O)NC(CNS(=O)(=O)c1ccc(Cl)cc1)C(=O)NO)C(=O)C2.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylamino]-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-hydroxypropanamide?
The InChIKey is VJCVKERUMZPLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O7S2/c1-18(2)12-7-8-19(18,16(24)9-12)11-31(27,28)23-15(17(25)22-26)10-21-32(29,30)14-5-3-13(20)4-6-14/h3-6,12,15,21,23,26H,7-11H2,1-2H3,(H,22,25).
What are the key properties of 3-[(4-chlorophenyl)sulfonylamino]-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-hydroxypropanamide?
3-[(4-chlorophenyl)sulfonylamino]-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-hydroxypropanamide has a molecular weight of 508.02 g/mol, XLogP of 0.81, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonylamino]-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-hydroxypropanamide is sourced from PubChem (CID 54394714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).