3-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide

C17H19NO4S — CID 110673600

IUPAC3-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NC(CO)Cc2ccccc2)c1
InChIInChI=1S/C17H19NO4S/c1-13(20)15-8-5-9-17(11-15)23(21,22)18-16(12-19)10-14-6-3-2-4-7-14/h2-9,11,16,18-19H,10,12H2,1H3
InChIKeyNUBWEPJEVFRIDV-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.77
Rot. Bonds7

About 3-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide

3-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide (PubChem CID 110673600) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 3-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide
PubChem CID110673600
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name3-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NC(CO)Cc2ccccc2)c1
InChIInChI=1S/C17H19NO4S/c1-13(20)15-8-5-9-17(11-15)23(21,22)18-16(12-19)10-14-6-3-2-4-7-14/h2-9,11,16,18-19H,10,12H2,1H3
InChIKeyNUBWEPJEVFRIDV-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501743
(2R)-2-[(3-acetylphenyl)sulfonylamino]propanoic acid
CID 29049479
N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide
CID 5155581
3-acetyl-N-hexan-3-ylbenzenesulfonamide
CID 55031108
(2R)-2-[(3-acetylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 29276801
3-acetyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 17435348
3-acetyl-N-hex-5-yn-3-ylbenzenesulfonamide
CID 115650571
3-acetyl-N-(2-benzylsulfanylphenyl)benzenesulfonamide
CID 8824193
2-[(3-acetylphenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 43080124
(2R)-2-[(3-acetylphenyl)sulfonylamino]-4-amino-4-oxobutanoic acid
CID 28538089
3-[(3-acetylphenyl)sulfonylamino]-N-(1,2-diphenylethyl)propanamide
CID 134014613
2-[(3-acetylphenyl)sulfonylamino]hexanoic acid
CID 43386720

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide (CID 110673600) is 3-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NC(CO)Cc2ccccc2)c1.
What is the InChIKey of 3-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide?
The InChIKey is NUBWEPJEVFRIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-13(20)15-8-5-9-17(11-15)23(21,22)18-16(12-19)10-14-6-3-2-4-7-14/h2-9,11,16,18-19H,10,12H2,1H3.
What are the key properties of 3-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide?
3-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide has a molecular weight of 333.41 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 110673600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).