N-[(2R)-1-hydroxy-4-oxo-4-phenylbutan-2-yl]-4-methylbenzenesulfonamide

C17H19NO4S — CID 102527600

IUPACN-[(2R)-1-hydroxy-4-oxo-4-phenylbutan-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](CO)CC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO4S/c1-13-7-9-16(10-8-13)23(21,22)18-15(12-19)11-17(20)14-5-3-2-4-6-14/h2-10,15,18-19H,11-12H2,1H3/t15-/m1/s1
InChIKeyWYDDYQKJBKOSJZ-OAHLLOKOSA-N
MW333.41 g/mol
LogP1.91
Rot. Bonds7

About N-[(2R)-1-hydroxy-4-oxo-4-phenylbutan-2-yl]-4-methylbenzenesulfonamide

N-[(2R)-1-hydroxy-4-oxo-4-phenylbutan-2-yl]-4-methylbenzenesulfonamide (PubChem CID 102527600) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-4-oxo-4-phenylbutan-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-4-oxo-4-phenylbutan-2-yl]-4-methylbenzenesulfonamide
PubChem CID102527600
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC NameN-[(2R)-1-hydroxy-4-oxo-4-phenylbutan-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](CO)CC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO4S/c1-13-7-9-16(10-8-13)23(21,22)18-15(12-19)11-17(20)14-5-3-2-4-6-14/h2-10,15,18-19H,11-12H2,1H3/t15-/m1/s1
InChIKeyWYDDYQKJBKOSJZ-OAHLLOKOSA-N
XLogP1.91
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide
CID 5155581
(2R)-2-[[4-[2-(4-methylphenyl)-2-oxoethyl]phenyl]sulfonylamino]propanoic acid
CID 67589218
N-(1-hydroxybutan-2-yl)-4-propanoylbenzenesulfonamide
CID 82164437
methyl (4S)-5-hydroxy-4-[(4-methylphenyl)sulfonylamino]pentanoate
CID 10957585
N-[(1R,2R)-2-bromo-3-oxo-1,3-diphenylpropyl]-4-methylbenzenesulfonamide
CID 102280789
(2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid;hydrate
CID 131749441
N-[(2R)-1-chloro-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 102467096
4-methyl-N-(4-oxo-5-phenylpentan-2-yl)benzenesulfonamide
CID 11301998
lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463
4-acetyl-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501748
2-[1-(4-methylphenyl)sulfonylethylamino]-1-phenylethanone
CID 59806297
4-methyl-N-[(2S)-1-phenylpentan-2-yl]benzenesulfonamide
CID 45102181

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-4-oxo-4-phenylbutan-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2R)-1-hydroxy-4-oxo-4-phenylbutan-2-yl]-4-methylbenzenesulfonamide (CID 102527600) is N-[(2R)-1-hydroxy-4-oxo-4-phenylbutan-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-4-oxo-4-phenylbutan-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-1-hydroxy-4-oxo-4-phenylbutan-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H](CO)CC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(2R)-1-hydroxy-4-oxo-4-phenylbutan-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is WYDDYQKJBKOSJZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-13-7-9-16(10-8-13)23(21,22)18-15(12-19)11-17(20)14-5-3-2-4-6-14/h2-10,15,18-19H,11-12H2,1H3/t15-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxy-4-oxo-4-phenylbutan-2-yl]-4-methylbenzenesulfonamide?
N-[(2R)-1-hydroxy-4-oxo-4-phenylbutan-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 333.41 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxy-4-oxo-4-phenylbutan-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 102527600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).