N-(1-hydroxy-3-phenylpropan-2-yl)-1-(2-methylphenyl)methanesulfonamide

C17H21NO3S — CID 75387057

IUPACN-(1-hydroxy-3-phenylpropan-2-yl)-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NC(CO)Cc1ccccc1
InChIInChI=1S/C17H21NO3S/c1-14-7-5-6-10-16(14)13-22(20,21)18-17(12-19)11-15-8-3-2-4-9-15/h2-10,17-19H,11-13H2,1H3
InChIKeyKEBCVNCYKZCDOP-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.02
Rot. Bonds7

About N-(1-hydroxy-3-phenylpropan-2-yl)-1-(2-methylphenyl)methanesulfonamide

N-(1-hydroxy-3-phenylpropan-2-yl)-1-(2-methylphenyl)methanesulfonamide (PubChem CID 75387057) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(1-hydroxy-3-phenylpropan-2-yl)-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-phenylpropan-2-yl)-1-(2-methylphenyl)methanesulfonamide
PubChem CID75387057
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-(1-hydroxy-3-phenylpropan-2-yl)-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NC(CO)Cc1ccccc1
InChIInChI=1S/C17H21NO3S/c1-14-7-5-6-10-16(14)13-22(20,21)18-17(12-19)11-15-8-3-2-4-9-15/h2-10,17-19H,11-13H2,1H3
InChIKeyKEBCVNCYKZCDOP-UHFFFAOYSA-N
XLogP2.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 102610215
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-methylphenyl)acetamide
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1-(2-methylphenyl)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)methanesulfonamide
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3-[(1-hydroxy-3-phenylpropan-2-yl)sulfamoyl]propanoic acid
CID 63261722
[(2R)-3-hydroxy-2-(sulfamoylamino)propyl]benzene
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(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propan-1-ol
CID 102675491
N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide
CID 5155581
[(2R)-2-(diethylsulfamoylamino)-3-hydroxypropyl]benzene
CID 95040127
2-[2-(aminomethyl)-6-methylanilino]-3-phenylpropan-1-ol
CID 107105706
N-(1-hydroxy-3-phenylpropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 63261000
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,5-dimethylthiophene-3-sulfonamide
CID 102675582
2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-methylbenzoic acid
CID 107112184

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-1-(2-methylphenyl)methanesulfonamide (CID 75387057) is N-(1-hydroxy-3-phenylpropan-2-yl)-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(1-hydroxy-3-phenylpropan-2-yl)-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(1-hydroxy-3-phenylpropan-2-yl)-1-(2-methylphenyl)methanesulfonamide is Cc1ccccc1CS(=O)(=O)NC(CO)Cc1ccccc1.
What is the InChIKey of N-(1-hydroxy-3-phenylpropan-2-yl)-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is KEBCVNCYKZCDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-14-7-5-6-10-16(14)13-22(20,21)18-17(12-19)11-15-8-3-2-4-9-15/h2-10,17-19H,11-13H2,1H3.
What are the key properties of N-(1-hydroxy-3-phenylpropan-2-yl)-1-(2-methylphenyl)methanesulfonamide?
N-(1-hydroxy-3-phenylpropan-2-yl)-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-phenylpropan-2-yl)-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 75387057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).