N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide

C13H21NO3S — CID 118863079

IUPACN-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide
SMILESCCC(CC)[C@@H](CO)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H21NO3S/c1-3-11(4-2)13(10-15)14-18(16,17)12-8-6-5-7-9-12/h5-9,11,13-15H,3-4,10H2,1-2H3/t13-/m1/s1
InChIKeyRXEJADJURMFUCD-CYBMUJFWSA-N
MW271.38 g/mol
LogP1.76
Rot. Bonds7

About N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide

N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide (PubChem CID 118863079) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide
PubChem CID118863079
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide
SMILESCCC(CC)[C@@H](CO)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H21NO3S/c1-3-11(4-2)13(10-15)14-18(16,17)12-8-6-5-7-9-12/h5-9,11,13-15H,3-4,10H2,1-2H3/t13-/m1/s1
InChIKeyRXEJADJURMFUCD-CYBMUJFWSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 73191893
2-chloro-N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide
CID 69464437
N-[(2S,3S)-1-hydroxy-5-methyl-3-phenylhexan-2-yl]benzenesulfonamide
CID 154511654
4-bromo-N-[(2S,3R)-1-hydroxy-3-phenylpentan-2-yl]benzenesulfonamide
CID 10046401
N-(3-ethyl-1-hydroxypentan-2-yl)-5-fluorothiophene-2-sulfonamide
CID 22500717
(2S)-2-(benzenesulfonamido)butanoate
CID 6944962
4-cyano-N-[(2S,3S)-1-hydroxy-3-phenylbutan-2-yl]benzenesulfonamide
CID 97239362
(2S)-2-(benzenesulfonamido)-N-[(2R)-butan-2-yl]propanamide
CID 41330742
N-[(2R,3S)-1,4-dihydroxy-3-methylbutan-2-yl]-4-methylbenzenesulfonamide
CID 11437252
N-[(2R)-5-hydroxypentan-2-yl]benzenesulfonamide
CID 97051720
4-bromo-N-[(2S,3R)-1-hydroxy-3-propylnonan-2-yl]benzenesulfonamide
CID 10387409
4-chloro-N-[(2S,3R)-1-hydroxy-3-propylnonan-2-yl]benzenesulfonamide
CID 10090907

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide?
The IUPAC name of N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide (CID 118863079) is N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide?
The canonical SMILES for N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide is CCC(CC)[C@@H](CO)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide?
The InChIKey is RXEJADJURMFUCD-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-3-11(4-2)13(10-15)14-18(16,17)12-8-6-5-7-9-12/h5-9,11,13-15H,3-4,10H2,1-2H3/t13-/m1/s1.
What are the key properties of N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide?
N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 118863079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).