N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide

C13H21NO3S — CID 112511125

IUPACN-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(O)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H21NO3S/c1-4-18(16,17)14-9-13(15)12-7-5-11(6-8-12)10(2)3/h5-8,10,13-15H,4,9H2,1-3H3
InChIKeyBUHLEOPQNKMOMG-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.78
Rot. Bonds6

About N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide

N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide (PubChem CID 112511125) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide
PubChem CID112511125
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(O)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H21NO3S/c1-4-18(16,17)14-9-13(15)12-7-5-11(6-8-12)10(2)3/h5-8,10,13-15H,4,9H2,1-3H3
InChIKeyBUHLEOPQNKMOMG-UHFFFAOYSA-N
XLogP1.78
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-aminophenyl)-2-hydroxyethyl]ethanesulfonamide
CID 43461540
N-[(2S)-2-hydroxy-2-phenylethyl]propane-1-sulfonamide
CID 93084157
N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 110279875
(2S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2-methylbutane-1-sulfonamide
CID 97025412
2-(2-methylsulfonylethylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 54934596
N-[1-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide
CID 22201177
N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110279885
1-(4-methylsulfonylphenyl)-2-[(4-propan-2-ylphenyl)methylamino]ethanol
CID 166178913
methyl 2-[[2-(4-aminophenyl)-2-hydroxyethyl]sulfamoyl]propanoate
CID 61458401
2-(2,3-dimethylbutylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 64569516
N-ethyl-1-(4-propan-2-ylphenyl)methanesulfonamide
CID 145265595
2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propan-1-ol
CID 60909048

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide (CID 112511125) is N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide is CCS(=O)(=O)NCC(O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide?
The InChIKey is BUHLEOPQNKMOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-4-18(16,17)14-9-13(15)12-7-5-11(6-8-12)10(2)3/h5-8,10,13-15H,4,9H2,1-3H3.
What are the key properties of N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide?
N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide is sourced from PubChem (CID 112511125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).