N-[(2R)-2-hydroxy-2-phenylpropyl]-3,4-dimethylbenzenesulfonamide

C17H21NO3S — CID 95368041

IUPACN-[(2R)-2-hydroxy-2-phenylpropyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@](C)(O)c2ccccc2)cc1C
InChIInChI=1S/C17H21NO3S/c1-13-9-10-16(11-14(13)2)22(20,21)18-12-17(3,19)15-7-5-4-6-8-15/h4-11,18-19H,12H2,1-3H3/t17-/m0/s1
InChIKeyDWYNMKVIILXEAV-KRWDZBQOSA-N
MW319.43 g/mol
LogP2.49
Rot. Bonds5

About N-[(2R)-2-hydroxy-2-phenylpropyl]-3,4-dimethylbenzenesulfonamide

N-[(2R)-2-hydroxy-2-phenylpropyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 95368041) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-phenylpropyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-phenylpropyl]-3,4-dimethylbenzenesulfonamide
PubChem CID95368041
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-[(2R)-2-hydroxy-2-phenylpropyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@](C)(O)c2ccccc2)cc1C
InChIInChI=1S/C17H21NO3S/c1-13-9-10-16(11-14(13)2)22(20,21)18-12-17(3,19)15-7-5-4-6-8-15/h4-11,18-19H,12H2,1-3H3/t17-/m0/s1
InChIKeyDWYNMKVIILXEAV-KRWDZBQOSA-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

Analyze N-[(2R)-2-hydroxy-2-phenylpropyl]-3,4-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Ethylphenylsulfonyl)-4-phenylazepan-4-ol
CID 25192457
N-(2-Hydroxy-2-phenyl-ethyl)-4-methyl-benzenesulfonamide
CID 2812775
N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 56765486
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
N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 56764232
(S)-1,1,1-trifluoro-3-(4-fluoro-3-tolylsulfonylamino)-2-phenyl-2-propanol
CID 95367399
(S)-1-cyclopropyl-1-phenyl-2-[p-(trifluoromethyl)phenylsulfonylamino]-1-ethanol
CID 95379531
(R)-2-(4-biphenylyl)-1-(m-fluorophenylsulfonylamino)-2-propanol
CID 96351487
(5,6,7,8-tetrahydro-2-naphthylsulfonyl)[(R)-2-(o-fluorophenyl)-2-methoxypropyl]amine
CID 97428462
1-(4-Methylphenyl)sulfonyl-3-phenylazetidin-3-ol
CID 15362295

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-phenylpropyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-phenylpropyl]-3,4-dimethylbenzenesulfonamide (CID 95368041) is N-[(2R)-2-hydroxy-2-phenylpropyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-phenylpropyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-phenylpropyl]-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC[C@](C)(O)c2ccccc2)cc1C.
What is the InChIKey of N-[(2R)-2-hydroxy-2-phenylpropyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is DWYNMKVIILXEAV-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-13-9-10-16(11-14(13)2)22(20,21)18-12-17(3,19)15-7-5-4-6-8-15/h4-11,18-19H,12H2,1-3H3/t17-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-phenylpropyl]-3,4-dimethylbenzenesulfonamide?
N-[(2R)-2-hydroxy-2-phenylpropyl]-3,4-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-[(2R)-2-hydroxy-2-phenylpropyl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 95368041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).