N-hydroxy-4-phenyl-3-(4-phenylphenyl)sulfonylbutanamide

C22H21NO4S — CID 21224103

IUPACN-hydroxy-4-phenyl-3-(4-phenylphenyl)sulfonylbutanamide
SMILESO=C(CC(Cc1ccccc1)S(=O)(=O)c1ccc(-c2ccccc2)cc1)NO
InChIInChI=1S/C22H21NO4S/c24-22(23-25)16-21(15-17-7-3-1-4-8-17)28(26,27)20-13-11-19(12-14-20)18-9-5-2-6-10-18/h1-14,21,25H,15-16H2,(H,23,24)
InChIKeyKWKGTANKUDTBIY-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.63
Rot. Bonds7

About N-hydroxy-4-phenyl-3-(4-phenylphenyl)sulfonylbutanamide

N-hydroxy-4-phenyl-3-(4-phenylphenyl)sulfonylbutanamide (PubChem CID 21224103) has the molecular formula C22H21NO4S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-hydroxy-4-phenyl-3-(4-phenylphenyl)sulfonylbutanamide.

Molecular Properties

Compound NameN-hydroxy-4-phenyl-3-(4-phenylphenyl)sulfonylbutanamide
PubChem CID21224103
Molecular FormulaC22H21NO4S
Molecular Weight395.48 g/mol
Exact Mass395.12
IUPAC NameN-hydroxy-4-phenyl-3-(4-phenylphenyl)sulfonylbutanamide
SMILESO=C(CC(Cc1ccccc1)S(=O)(=O)c1ccc(-c2ccccc2)cc1)NO
InChIInChI=1S/C22H21NO4S/c24-22(23-25)16-21(15-17-7-3-1-4-8-17)28(26,27)20-13-11-19(12-14-20)18-9-5-2-6-10-18/h1-14,21,25H,15-16H2,(H,23,24)
InChIKeyKWKGTANKUDTBIY-UHFFFAOYSA-N
XLogP3.63
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-phenyl-3-(4-phenylphenyl)sulfonylbutanamide?
The IUPAC name of N-hydroxy-4-phenyl-3-(4-phenylphenyl)sulfonylbutanamide (CID 21224103) is N-hydroxy-4-phenyl-3-(4-phenylphenyl)sulfonylbutanamide.
What is the SMILES notation for N-hydroxy-4-phenyl-3-(4-phenylphenyl)sulfonylbutanamide?
The canonical SMILES for N-hydroxy-4-phenyl-3-(4-phenylphenyl)sulfonylbutanamide is O=C(CC(Cc1ccccc1)S(=O)(=O)c1ccc(-c2ccccc2)cc1)NO.
What is the InChIKey of N-hydroxy-4-phenyl-3-(4-phenylphenyl)sulfonylbutanamide?
The InChIKey is KWKGTANKUDTBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4S/c24-22(23-25)16-21(15-17-7-3-1-4-8-17)28(26,27)20-13-11-19(12-14-20)18-9-5-2-6-10-18/h1-14,21,25H,15-16H2,(H,23,24).
What are the key properties of N-hydroxy-4-phenyl-3-(4-phenylphenyl)sulfonylbutanamide?
N-hydroxy-4-phenyl-3-(4-phenylphenyl)sulfonylbutanamide has a molecular weight of 395.48 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-phenyl-3-(4-phenylphenyl)sulfonylbutanamide is sourced from PubChem (CID 21224103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).