N-(2-hydroxy-2-phenylpropyl)-1-(4-methylphenyl)methanesulfonamide

C17H21NO3S — CID 110664052

IUPACN-(2-hydroxy-2-phenylpropyl)-1-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCC(C)(O)c2ccccc2)cc1
InChIInChI=1S/C17H21NO3S/c1-14-8-10-15(11-9-14)12-22(20,21)18-13-17(2,19)16-6-4-3-5-7-16/h3-11,18-19H,12-13H2,1-2H3
InChIKeyDMLPFVMBUGERPK-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.32
Rot. Bonds6

About N-(2-hydroxy-2-phenylpropyl)-1-(4-methylphenyl)methanesulfonamide

N-(2-hydroxy-2-phenylpropyl)-1-(4-methylphenyl)methanesulfonamide (PubChem CID 110664052) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylpropyl)-1-(4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylpropyl)-1-(4-methylphenyl)methanesulfonamide
PubChem CID110664052
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-(2-hydroxy-2-phenylpropyl)-1-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCC(C)(O)c2ccccc2)cc1
InChIInChI=1S/C17H21NO3S/c1-14-8-10-15(11-9-14)12-22(20,21)18-13-17(2,19)16-6-4-3-5-7-16/h3-11,18-19H,12-13H2,1-2H3
InChIKeyDMLPFVMBUGERPK-UHFFFAOYSA-N
XLogP2.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-hydroxy-2-phenylpropyl]methanesulfonamide
CID 95368033
N-(2-hydroxy-2-phenylpropyl)-3-phenylpropane-1-sulfonamide
CID 110664059
N-[(2S)-2-hydroxy-2-phenylpropyl]-2,4-dimethylbenzenesulfonamide
CID 95368044
N-[(2R)-2-hydroxy-2-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 95368060
N-[2-(4-methylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 110787220
4-(benzylsulfonylamino)-3-hydroxy-3-methylbutanoic acid
CID 66001767
3-cyano-N-(2-hydroxy-2-phenylpropyl)propane-1-sulfonamide
CID 71911317
2-hydroxy-2-methyl-3-[[4-(4-methylphenoxy)phenyl]methylsulfonylamino]propanamide
CID 91130513
N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide
CID 110663962
N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 71796922
tert-butyl N-[(4-methylphenyl)methylsulfonyl]carbamate
CID 159326280
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-(3-methylphenyl)methanesulfonamide
CID 71788801

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylpropyl)-1-(4-methylphenyl)methanesulfonamide?
The IUPAC name of N-(2-hydroxy-2-phenylpropyl)-1-(4-methylphenyl)methanesulfonamide (CID 110664052) is N-(2-hydroxy-2-phenylpropyl)-1-(4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylpropyl)-1-(4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(2-hydroxy-2-phenylpropyl)-1-(4-methylphenyl)methanesulfonamide is Cc1ccc(CS(=O)(=O)NCC(C)(O)c2ccccc2)cc1.
What is the InChIKey of N-(2-hydroxy-2-phenylpropyl)-1-(4-methylphenyl)methanesulfonamide?
The InChIKey is DMLPFVMBUGERPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-14-8-10-15(11-9-14)12-22(20,21)18-13-17(2,19)16-6-4-3-5-7-16/h3-11,18-19H,12-13H2,1-2H3.
What are the key properties of N-(2-hydroxy-2-phenylpropyl)-1-(4-methylphenyl)methanesulfonamide?
N-(2-hydroxy-2-phenylpropyl)-1-(4-methylphenyl)methanesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylpropyl)-1-(4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110664052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).