N-(2-hydroxypropyl)-2-phenylethanesulfonamide

C11H17NO3S — CID 43502342

IUPACN-(2-hydroxypropyl)-2-phenylethanesulfonamide
SMILESCC(O)CNS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C11H17NO3S/c1-10(13)9-12-16(14,15)8-7-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3
InChIKeySJCOMBHMMLRZJK-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.53
Rot. Bonds6

About N-(2-hydroxypropyl)-2-phenylethanesulfonamide

N-(2-hydroxypropyl)-2-phenylethanesulfonamide (PubChem CID 43502342) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-2-phenylethanesulfonamide
PubChem CID43502342
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-(2-hydroxypropyl)-2-phenylethanesulfonamide
SMILESCC(O)CNS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C11H17NO3S/c1-10(13)9-12-16(14,15)8-7-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3
InChIKeySJCOMBHMMLRZJK-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-(2-phenylethylsulfonylamino)propanoic acid
CID 66167720
N-(2-hydroxy-4,4-dimethylpentyl)-2-phenylethanesulfonamide
CID 103697673
N-(2-aminobutyl)-2-phenylethanesulfonamide
CID 63731385
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-phenylethanesulfonamide
CID 109379684
N-(2-amino-4,4-dimethylpentyl)-2-phenylethanesulfonamide
CID 107158980
(2S,3R)-3-hydroxy-2-(2-phenylethylsulfonylamino)butanoic acid
CID 10891492
(2R,3R)-3-hydroxy-2-(2-phenylethylsulfonylamino)butanoic acid
CID 11748178
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-phenylethanesulfonamide
CID 7497942
N-[(2S,4S)-4-hydroxy-2-methylpentyl]-1-phenylmethanesulfonamide
CID 95635513
2-phenyl-N-[2-(4-phenylpiperazin-1-yl)propyl]ethanesulfonamide
CID 60532275
N-[2-(2-chloroethyl)pentyl]-2-phenylethanesulfonamide
CID 106118299
2-methyl-3-(2-phenylethylsulfonylamino)butanoic acid
CID 113415931

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-2-phenylethanesulfonamide?
The IUPAC name of N-(2-hydroxypropyl)-2-phenylethanesulfonamide (CID 43502342) is N-(2-hydroxypropyl)-2-phenylethanesulfonamide.
What is the SMILES notation for N-(2-hydroxypropyl)-2-phenylethanesulfonamide?
The canonical SMILES for N-(2-hydroxypropyl)-2-phenylethanesulfonamide is CC(O)CNS(=O)(=O)CCc1ccccc1.
What is the InChIKey of N-(2-hydroxypropyl)-2-phenylethanesulfonamide?
The InChIKey is SJCOMBHMMLRZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-10(13)9-12-16(14,15)8-7-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3.
What are the key properties of N-(2-hydroxypropyl)-2-phenylethanesulfonamide?
N-(2-hydroxypropyl)-2-phenylethanesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-2-phenylethanesulfonamide is sourced from PubChem (CID 43502342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).