2-hydroxy-N-(2-methyl-4-phenylbutan-2-yl)ethanesulfonamide

C13H21NO3S — CID 113472600

IUPAC2-hydroxy-N-(2-methyl-4-phenylbutan-2-yl)ethanesulfonamide
SMILESCC(C)(CCc1ccccc1)NS(=O)(=O)CCO
InChIInChI=1S/C13H21NO3S/c1-13(2,14-18(16,17)11-10-15)9-8-12-6-4-3-5-7-12/h3-7,14-15H,8-11H2,1-2H3
InChIKeyFMPDIRPSVWMRRE-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.31
Rot. Bonds7

About 2-hydroxy-N-(2-methyl-4-phenylbutan-2-yl)ethanesulfonamide

2-hydroxy-N-(2-methyl-4-phenylbutan-2-yl)ethanesulfonamide (PubChem CID 113472600) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-hydroxy-N-(2-methyl-4-phenylbutan-2-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-methyl-4-phenylbutan-2-yl)ethanesulfonamide
PubChem CID113472600
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name2-hydroxy-N-(2-methyl-4-phenylbutan-2-yl)ethanesulfonamide
SMILESCC(C)(CCc1ccccc1)NS(=O)(=O)CCO
InChIInChI=1S/C13H21NO3S/c1-13(2,14-18(16,17)11-10-15)9-8-12-6-4-3-5-7-12/h3-7,14-15H,8-11H2,1-2H3
InChIKeyFMPDIRPSVWMRRE-UHFFFAOYSA-N
XLogP1.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-phenylethanesulfonamide
CID 63194224
3,3,3-trifluoro-2-methyl-2-(2-phenylethylsulfonylamino)propanoic acid
CID 79790456
2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanesulfonamide
CID 115690814
2-methyl-2-(2-phenylethylsulfonylamino)pentanoic acid
CID 43619222
1-(methylamino)-N-(2-methyl-4-phenylbutan-2-yl)propane-2-sulfonamide
CID 106079273
2-[(2-methyl-4-phenylbutan-2-yl)amino]-2-oxoacetic acid
CID 82129385
N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693365
N-(2-cyanopropan-2-yl)-2-phenylethanesulfonamide
CID 79017328
5-methyl-N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 115621438
N-(1-chloro-3-methylpentan-3-yl)-2-phenylethanesulfonamide
CID 106170107
2-ethyl-2-(2-phenylethylsulfonylamino)butanethioamide
CID 80686540
3-(benzylsulfonylamino)-3-methylbutanoic acid
CID 64700945

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-methyl-4-phenylbutan-2-yl)ethanesulfonamide?
The IUPAC name of 2-hydroxy-N-(2-methyl-4-phenylbutan-2-yl)ethanesulfonamide (CID 113472600) is 2-hydroxy-N-(2-methyl-4-phenylbutan-2-yl)ethanesulfonamide.
What is the SMILES notation for 2-hydroxy-N-(2-methyl-4-phenylbutan-2-yl)ethanesulfonamide?
The canonical SMILES for 2-hydroxy-N-(2-methyl-4-phenylbutan-2-yl)ethanesulfonamide is CC(C)(CCc1ccccc1)NS(=O)(=O)CCO.
What is the InChIKey of 2-hydroxy-N-(2-methyl-4-phenylbutan-2-yl)ethanesulfonamide?
The InChIKey is FMPDIRPSVWMRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-13(2,14-18(16,17)11-10-15)9-8-12-6-4-3-5-7-12/h3-7,14-15H,8-11H2,1-2H3.
What are the key properties of 2-hydroxy-N-(2-methyl-4-phenylbutan-2-yl)ethanesulfonamide?
2-hydroxy-N-(2-methyl-4-phenylbutan-2-yl)ethanesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-methyl-4-phenylbutan-2-yl)ethanesulfonamide is sourced from PubChem (CID 113472600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).