N-(2-hydroxy-2-methyl-4-phenylbutyl)benzenesulfonamide

C17H21NO3S — CID 90498566

IUPACN-(2-hydroxy-2-methyl-4-phenylbutyl)benzenesulfonamide
SMILESCC(O)(CCc1ccccc1)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H21NO3S/c1-17(19,13-12-15-8-4-2-5-9-15)14-18-22(20,21)16-10-6-3-7-11-16/h2-11,18-19H,12-14H2,1H3
InChIKeyRAYTXFWORWKNNO-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.35
Rot. Bonds7

About N-(2-hydroxy-2-methyl-4-phenylbutyl)benzenesulfonamide

N-(2-hydroxy-2-methyl-4-phenylbutyl)benzenesulfonamide (PubChem CID 90498566) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-4-phenylbutyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-4-phenylbutyl)benzenesulfonamide
PubChem CID90498566
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-(2-hydroxy-2-methyl-4-phenylbutyl)benzenesulfonamide
SMILESCC(O)(CCc1ccccc1)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H21NO3S/c1-17(19,13-12-15-8-4-2-5-9-15)14-18-22(20,21)16-10-6-3-7-11-16/h2-11,18-19H,12-14H2,1H3
InChIKeyRAYTXFWORWKNNO-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methyl-4-phenylbutyl)-4-nitrobenzenesulfonamide
CID 90498603
N-(2-hydroxy-2-methyl-4-phenylbutyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 90498631
3-chloro-4-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzenesulfonamide
CID 90498613
N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)benzenesulfonamide
CID 71787335
N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]benzenesulfonamide
CID 95984417
1-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)methanesulfonamide
CID 90498609
N-(2-hydroxy-2-methylbutyl)-4-propylbenzenesulfonamide
CID 65112900
N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide
CID 115362987
N-(2-amino-2-methylpropyl)benzenesulfonamide;hydrochloride
CID 90081725
1-(2,5-difluorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]methanesulfonamide
CID 95986127
N-(2-cyclopropyl-2-hydroxypropyl)benzenesulfonamide
CID 90499346
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-phenylethanesulfonamide
CID 103697669

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-4-phenylbutyl)benzenesulfonamide?
The IUPAC name of N-(2-hydroxy-2-methyl-4-phenylbutyl)benzenesulfonamide (CID 90498566) is N-(2-hydroxy-2-methyl-4-phenylbutyl)benzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-4-phenylbutyl)benzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-4-phenylbutyl)benzenesulfonamide is CC(O)(CCc1ccccc1)CNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-methyl-4-phenylbutyl)benzenesulfonamide?
The InChIKey is RAYTXFWORWKNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-17(19,13-12-15-8-4-2-5-9-15)14-18-22(20,21)16-10-6-3-7-11-16/h2-11,18-19H,12-14H2,1H3.
What are the key properties of N-(2-hydroxy-2-methyl-4-phenylbutyl)benzenesulfonamide?
N-(2-hydroxy-2-methyl-4-phenylbutyl)benzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-4-phenylbutyl)benzenesulfonamide is sourced from PubChem (CID 90498566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).