N-[(2S)-2-hydroxy-2-phenylethyl]propane-1-sulfonamide

C11H17NO3S — CID 93084157

IUPACN-[(2S)-2-hydroxy-2-phenylethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC[C@@H](O)c1ccccc1
InChIInChI=1S/C11H17NO3S/c1-2-8-16(14,15)12-9-11(13)10-6-4-3-5-7-10/h3-7,11-13H,2,8-9H2,1H3/t11-/m1/s1
InChIKeyJCZVCTKDTWIMKY-LLVKDONJSA-N
MW243.33 g/mol
LogP1.05
Rot. Bonds6

About N-[(2S)-2-hydroxy-2-phenylethyl]propane-1-sulfonamide

N-[(2S)-2-hydroxy-2-phenylethyl]propane-1-sulfonamide (PubChem CID 93084157) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-phenylethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-phenylethyl]propane-1-sulfonamide
PubChem CID93084157
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-[(2S)-2-hydroxy-2-phenylethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC[C@@H](O)c1ccccc1
InChIInChI=1S/C11H17NO3S/c1-2-8-16(14,15)12-9-11(13)10-6-4-3-5-7-10/h3-7,11-13H,2,8-9H2,1H3/t11-/m1/s1
InChIKeyJCZVCTKDTWIMKY-LLVKDONJSA-N
XLogP1.05
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2-methylbutane-1-sulfonamide
CID 97025412
N-[2-(dimethylamino)-2-phenylethyl]propane-1-sulfonamide
CID 60648817
N-(3-hydroxy-3-phenylpropyl)butane-1-sulfonamide
CID 111466269
1,1,1-trifluoro-N-(2-hydroxy-2-phenylethyl)methanesulfonamide
CID 43502422
N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide
CID 112511125
4-ethyl-N-[(2S)-2-hydroxy-2-phenylethyl]benzenesulfonamide
CID 6930626
N-[2-(4-aminophenyl)-2-hydroxyethyl]ethanesulfonamide
CID 43461540
4-butyl-N-(2-hydroxy-2-phenylethyl)benzenesulfonamide
CID 3691488
N-(2-methyl-3-phenylpropyl)propane-1-sulfonamide
CID 110358143
ethyl N-[(2-hydroxy-2-phenylethyl)sulfamoyl]carbamate
CID 114464098
N-(2-hydroxy-2-thiophen-3-ylethyl)butane-1-sulfonamide
CID 103916548
N-(2-hydroxy-2-phenylethyl)-4-phenylbenzenesulfonamide
CID 3731751

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-phenylethyl]propane-1-sulfonamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-phenylethyl]propane-1-sulfonamide (CID 93084157) is N-[(2S)-2-hydroxy-2-phenylethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-phenylethyl]propane-1-sulfonamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-phenylethyl]propane-1-sulfonamide is CCCS(=O)(=O)NC[C@@H](O)c1ccccc1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-phenylethyl]propane-1-sulfonamide?
The InChIKey is JCZVCTKDTWIMKY-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-2-8-16(14,15)12-9-11(13)10-6-4-3-5-7-10/h3-7,11-13H,2,8-9H2,1H3/t11-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-phenylethyl]propane-1-sulfonamide?
N-[(2S)-2-hydroxy-2-phenylethyl]propane-1-sulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-phenylethyl]propane-1-sulfonamide is sourced from PubChem (CID 93084157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).