3-[(4-chlorophenyl)sulfonylamino]-N-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanamide

C16H18ClN3O6S2 — CID 22004248

IUPAC3-[(4-chlorophenyl)sulfonylamino]-N-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NC(CNS(=O)(=O)c2ccc(Cl)cc2)C(=O)NO)cc1
InChIInChI=1S/C16H18ClN3O6S2/c1-11-2-6-14(7-3-11)28(25,26)20-15(16(21)19-22)10-18-27(23,24)13-8-4-12(17)5-9-13/h2-9,15,18,20,22H,10H2,1H3,(H,19,21)
InChIKeyWETUKEWLJXBQML-UHFFFAOYSA-N
MW447.92 g/mol
LogP0.78
Rot. Bonds8

About 3-[(4-chlorophenyl)sulfonylamino]-N-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanamide

3-[(4-chlorophenyl)sulfonylamino]-N-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 22004248) has the molecular formula C16H18ClN3O6S2 and a molecular weight of 447.92 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylamino]-N-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylamino]-N-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID22004248
Molecular FormulaC16H18ClN3O6S2
Molecular Weight447.92 g/mol
Exact Mass447.03
IUPAC Name3-[(4-chlorophenyl)sulfonylamino]-N-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NC(CNS(=O)(=O)c2ccc(Cl)cc2)C(=O)NO)cc1
InChIInChI=1S/C16H18ClN3O6S2/c1-11-2-6-14(7-3-11)28(25,26)20-15(16(21)19-22)10-18-27(23,24)13-8-4-12(17)5-9-13/h2-9,15,18,20,22H,10H2,1H3,(H,19,21)
InChIKeyWETUKEWLJXBQML-UHFFFAOYSA-N
XLogP0.78
TPSA141.67 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.92
LogP ≤ 50.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

(2S)-2,3-bis[(4-methylphenyl)sulfonylamino]propanoic acid
CID 44722108
(2R)-3-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 7082008
N-[2,2-bis[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 175193129
3-chloro-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
CID 21236350
3-[(4-chlorophenyl)sulfonylamino]-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-hydroxypropanamide
CID 54394714
(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 7061989
N-(2-bromo-2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 141352763
N-[2-(4-chlorophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide
CID 134843251
N-[(2R)-2-[(S)-(4-chlorophenyl)-hydroxymethyl]butyl]-4-methylbenzenesulfonamide
CID 177474536
N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 2947130
(2S)-N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 41374144
N-[2-(4-chloroanilino)-2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 51356051

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanamide (CID 22004248) is 3-[(4-chlorophenyl)sulfonylamino]-N-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylamino]-N-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylamino]-N-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanamide is Cc1ccc(S(=O)(=O)NC(CNS(=O)(=O)c2ccc(Cl)cc2)C(=O)NO)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylamino]-N-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is WETUKEWLJXBQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O6S2/c1-11-2-6-14(7-3-11)28(25,26)20-15(16(21)19-22)10-18-27(23,24)13-8-4-12(17)5-9-13/h2-9,15,18,20,22H,10H2,1H3,(H,19,21).
What are the key properties of 3-[(4-chlorophenyl)sulfonylamino]-N-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanamide?
3-[(4-chlorophenyl)sulfonylamino]-N-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 447.92 g/mol, XLogP of 0.78, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonylamino]-N-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 22004248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).