N-(2-hydroxy-2-phenylpropyl)-2,4-dimethylbenzenesulfonamide

C17H21NO3S — CID 56765377

IUPACN-(2-hydroxy-2-phenylpropyl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C)(O)c2ccccc2)c(C)c1
InChIInChI=1S/C17H21NO3S/c1-13-9-10-16(14(2)11-13)22(20,21)18-12-17(3,19)15-7-5-4-6-8-15/h4-11,18-19H,12H2,1-3H3
InChIKeyALYABTKSFBOTOF-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.49
Rot. Bonds5

About N-(2-hydroxy-2-phenylpropyl)-2,4-dimethylbenzenesulfonamide

N-(2-hydroxy-2-phenylpropyl)-2,4-dimethylbenzenesulfonamide (PubChem CID 56765377) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylpropyl)-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylpropyl)-2,4-dimethylbenzenesulfonamide
PubChem CID56765377
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-(2-hydroxy-2-phenylpropyl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C)(O)c2ccccc2)c(C)c1
InChIInChI=1S/C17H21NO3S/c1-13-9-10-16(14(2)11-13)22(20,21)18-12-17(3,19)15-7-5-4-6-8-15/h4-11,18-19H,12H2,1-3H3
InChIKeyALYABTKSFBOTOF-UHFFFAOYSA-N
XLogP2.49
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Ethylphenylsulfonyl)-4-phenylazepan-4-ol
CID 25192457
N-(2-Hydroxy-2-phenyl-ethyl)-4-methyl-benzenesulfonamide
CID 2812775
N-[(2S)-1-(4-hydroxyphenyl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 72725552
N-[(2S)-1-(4-hydroxy-3-methylphenyl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 72725554
N-[(2S)-2-hydroxy-2-phenylpropyl]benzenesulfonamide
CID 3246205
N-(2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 242440
2-Methyl-3-phenyl-1-(p-tolylsulfonyl)azetidin-3-ol
CID 496737
1-(4-Methylphenyl)sulfonyl-3-phenylazetidin-3-ol
CID 15362295
2-(1-Hydroxy-1-phenylethyl)-N-methylbenzenesulfonamide
CID 268246
4-Phenyl-1-(p-tolylsulphonyl)piperidin-4-ol
CID 98752
4-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 11100455
(s)-N-(1-hydroxy-3-phenyl-1,1-bis(4-(trifluoromethyl)phenyl)propan-2-yl)-2,4,6-trimethylbenzenesulfonamide
CID 129884057

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylpropyl)-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxy-2-phenylpropyl)-2,4-dimethylbenzenesulfonamide (CID 56765377) is N-(2-hydroxy-2-phenylpropyl)-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylpropyl)-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-2-phenylpropyl)-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(C)(O)c2ccccc2)c(C)c1.
What is the InChIKey of N-(2-hydroxy-2-phenylpropyl)-2,4-dimethylbenzenesulfonamide?
The InChIKey is ALYABTKSFBOTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-13-9-10-16(14(2)11-13)22(20,21)18-12-17(3,19)15-7-5-4-6-8-15/h4-11,18-19H,12H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-phenylpropyl)-2,4-dimethylbenzenesulfonamide?
N-(2-hydroxy-2-phenylpropyl)-2,4-dimethylbenzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.49, 5 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)-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 56765377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).