N-ethyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide

C14H23NO3S — CID 44601996

IUPACN-ethyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide
SMILESCCN([C@H](CO)CC(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H23NO3S/c1-4-15(13(11-16)10-12(2)3)19(17,18)14-8-6-5-7-9-14/h5-9,12-13,16H,4,10-11H2,1-3H3/t13-/m0/s1
InChIKeyZDUKIDPFFJRYFD-ZDUSSCGKSA-N
MW285.41 g/mol
LogP2.10
Rot. Bonds7

About N-ethyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide

N-ethyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide (PubChem CID 44601996) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-ethyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide
PubChem CID44601996
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-ethyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide
SMILESCCN([C@H](CO)CC(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H23NO3S/c1-4-15(13(11-16)10-12(2)3)19(17,18)14-8-6-5-7-9-14/h5-9,12-13,16H,4,10-11H2,1-3H3/t13-/m0/s1
InChIKeyZDUKIDPFFJRYFD-ZDUSSCGKSA-N
XLogP2.10
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ST016344
CID 297354
((2S)-1-(benzenesulfonyl)pyrrolidin-2-yl)methanol
CID 15696145
N-(2-Hydroxyethyl)-N-(3-hydroxypropyl)-p-toluenesulphonamide
CID 81421
4-fluoro-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide
CID 10084784
N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide
CID 25263453
(1-(4-Fluorophenylsulfonyl)piperidin-3-yl)methanol
CID 3245709
2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-methylbenzenesulfonamide
CID 44602064
2-bromo-N-butyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 44602067
2,6-difluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide
CID 45480006
Ethanol, 2-(cyclohexyl)(4-fluorophenylsulfonyl)amino-
CID 604862
1-tosyl-2-(S)-pyrrolidinemethanol
CID 724414
N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-methylbenzenesulfonamide
CID 25263445

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide?
The IUPAC name of N-ethyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide (CID 44601996) is N-ethyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide?
The canonical SMILES for N-ethyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide is CCN([C@H](CO)CC(C)C)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-ethyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide?
The InChIKey is ZDUKIDPFFJRYFD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-4-15(13(11-16)10-12(2)3)19(17,18)14-8-6-5-7-9-14/h5-9,12-13,16H,4,10-11H2,1-3H3/t13-/m0/s1.
What are the key properties of N-ethyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide?
N-ethyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 44601996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).