N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide

C15H17NO3S — CID 13293571

IUPACN-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C15H17NO3S/c1-12(15(17)13-8-4-2-5-9-13)16-20(18,19)14-10-6-3-7-11-14/h2-12,15-17H,1H3/t12-,15-/m0/s1
InChIKeyIVABSLABIWVGMT-WFASDCNBSA-N
MW291.37 g/mol
LogP2.09
Rot. Bonds5

About N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide

N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide (PubChem CID 13293571) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
PubChem CID13293571
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C15H17NO3S/c1-12(15(17)13-8-4-2-5-9-13)16-20(18,19)14-10-6-3-7-11-14/h2-12,15-17H,1H3/t12-,15-/m0/s1
InChIKeyIVABSLABIWVGMT-WFASDCNBSA-N
XLogP2.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide 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

N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 11162537
4-chloro-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
CID 10471593
N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-4-nitrobenzenesulfonamide
CID 40648047
N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-4-nitrobenzenesulfonamide
CID 40648034
N-[(1S)-2-methyl-1-phenylpropyl]benzenesulfonamide
CID 40522121
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 68629848
N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-4-methylbenzenesulfonamide
CID 101415402
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;sulfane
CID 162055565
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;2-(methylamino)-1-phenylpropan-1-ol;hydrate
CID 67711321
copper;(1R,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 90401537
ethyl (2R,3S)-2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoate
CID 7375482

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide?
The IUPAC name of N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide (CID 13293571) is N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide is C[C@H](NS(=O)(=O)c1ccccc1)[C@H](O)c1ccccc1.
What is the InChIKey of N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide?
The InChIKey is IVABSLABIWVGMT-WFASDCNBSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-12(15(17)13-8-4-2-5-9-13)16-20(18,19)14-10-6-3-7-11-14/h2-12,15-17H,1H3/t12-,15-/m0/s1.
What are the key properties of N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide?
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 13293571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).