2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-N-hydroxy-3-phenoxypropanamide

C22H20ClNO5S — CID 23505538

IUPAC2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-N-hydroxy-3-phenoxypropanamide
SMILESO=C(NO)C(COc1ccccc1)CS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H20ClNO5S/c23-19-10-6-16(7-11-19)17-8-12-21(13-9-17)30(27,28)15-18(22(25)24-26)14-29-20-4-2-1-3-5-20/h1-13,18,26H,14-15H2,(H,24,25)
InChIKeyHFNSGIBLJYEUNM-UHFFFAOYSA-N
MW445.92 g/mol
LogP3.98
Rot. Bonds8

About 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-N-hydroxy-3-phenoxypropanamide

2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-N-hydroxy-3-phenoxypropanamide (PubChem CID 23505538) has the molecular formula C22H20ClNO5S and a molecular weight of 445.92 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-N-hydroxy-3-phenoxypropanamide.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-N-hydroxy-3-phenoxypropanamide
PubChem CID23505538
Molecular FormulaC22H20ClNO5S
Molecular Weight445.92 g/mol
Exact Mass445.08
IUPAC Name2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-N-hydroxy-3-phenoxypropanamide
SMILESO=C(NO)C(COc1ccccc1)CS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H20ClNO5S/c23-19-10-6-16(7-11-19)17-8-12-21(13-9-17)30(27,28)15-18(22(25)24-26)14-29-20-4-2-1-3-5-20/h1-13,18,26H,14-15H2,(H,24,25)
InChIKeyHFNSGIBLJYEUNM-UHFFFAOYSA-N
XLogP3.98
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.92
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-[[4-(4-fluorophenyl)phenyl]sulfonylmethyl]-3-phenoxypropanoic acid
CID 23505534
2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-hydroxypropanamide
CID 23505510
(2S)-2-(benzenesulfonylmethyl)-4-[4-(4-chlorophenyl)phenyl]-4-oxobutanoic acid
CID 54327915
2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfonylmethyl]-N-hydroxy-5-phenylpentanamide
CID 152754593
2-[[4-(4-cyanophenyl)phenyl]sulfonylmethyl]-3-(3-fluorophenoxy)propanoic acid
CID 23505537
4-chloro-N-(2-hydroxy-3-phenoxypropyl)benzenesulfonamide
CID 166232814
2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(pyridin-2-ylmethylsulfanyl)propanoic acid
CID 23505559
2-[(3-butyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-[4-(4-chlorophenyl)phenyl]sulfonyl-N-hydroxypropanamide
CID 23505558
2-[(3-butyl-2,4-dioxoimidazolidin-1-yl)methyl]-3-[4-(4-chlorophenyl)phenyl]sulfonyl-N-hydroxypropanamide
CID 23505545
2-(benzenesulfonylmethyl)-N-hydroxy-5-phenylpentanamide
CID 54227328
3-[4-(4-chlorophenyl)sulfonylphenoxy]-2-methylpropanoic acid
CID 54514935
(2S)-1-(4-chlorophenyl)sulfonyl-3-(3,4-dichlorophenoxy)propan-2-ol
CID 6976971

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-N-hydroxy-3-phenoxypropanamide?
The IUPAC name of 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-N-hydroxy-3-phenoxypropanamide (CID 23505538) is 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-N-hydroxy-3-phenoxypropanamide.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-N-hydroxy-3-phenoxypropanamide?
The canonical SMILES for 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-N-hydroxy-3-phenoxypropanamide is O=C(NO)C(COc1ccccc1)CS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-N-hydroxy-3-phenoxypropanamide?
The InChIKey is HFNSGIBLJYEUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO5S/c23-19-10-6-16(7-11-19)17-8-12-21(13-9-17)30(27,28)15-18(22(25)24-26)14-29-20-4-2-1-3-5-20/h1-13,18,26H,14-15H2,(H,24,25).
What are the key properties of 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-N-hydroxy-3-phenoxypropanamide?
2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-N-hydroxy-3-phenoxypropanamide has a molecular weight of 445.92 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-N-hydroxy-3-phenoxypropanamide is sourced from PubChem (CID 23505538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).