N-(2-hydroxy-1-phenylethyl)azepane-1-sulfonamide

C14H22N2O3S — CID 63183108

IUPACN-(2-hydroxy-1-phenylethyl)azepane-1-sulfonamide
SMILESO=S(=O)(NC(CO)c1ccccc1)N1CCCCCC1
InChIInChI=1S/C14H22N2O3S/c17-12-14(13-8-4-3-5-9-13)15-20(18,19)16-10-6-1-2-7-11-16/h3-5,8-9,14-15,17H,1-2,6-7,10-12H2
InChIKeyJWGPEBUKMJEVGN-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.43
Rot. Bonds5

About N-(2-hydroxy-1-phenylethyl)azepane-1-sulfonamide

N-(2-hydroxy-1-phenylethyl)azepane-1-sulfonamide (PubChem CID 63183108) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)azepane-1-sulfonamide
PubChem CID63183108
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(2-hydroxy-1-phenylethyl)azepane-1-sulfonamide
SMILESO=S(=O)(NC(CO)c1ccccc1)N1CCCCCC1
InChIInChI=1S/C14H22N2O3S/c17-12-14(13-8-4-3-5-9-13)15-20(18,19)16-10-6-1-2-7-11-16/h3-5,8-9,14-15,17H,1-2,6-7,10-12H2
InChIKeyJWGPEBUKMJEVGN-UHFFFAOYSA-N
XLogP1.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-1-phenylethyl)azepane-1-sulfonamide
CID 114296872
N-[(1R)-2-hydroxy-1-phenylethyl]piperazine-1-sulfonamide
CID 107863412
N-(2-amino-1-phenylethyl)pyrrolidine-1-sulfonamide
CID 61124934
N-[(2R,3S)-1-hydroxy-3-phenylbutan-2-yl]azepane-1-sulfonamide
CID 97239368
N-(2-hydroxy-1-phenylethyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 63182703
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]pyrrolidine-1-sulfonamide
CID 51872327
N-(1,3-dihydroxypropan-2-yl)piperidine-1-sulfonamide
CID 65314238
N-(2-hydroxy-1-phenylethyl)azepane-1-carboxamide
CID 112729485
N-(1-phenylpropyl)piperazine-1-sulfonamide
CID 62304382
N-[(1S)-2-hydroxy-1-phenylethyl]cyclopropanesulfonamide
CID 103825699
2-phenyl-3-(pyrrolidin-1-ylsulfonylamino)propanoic acid
CID 62883151
N-(2-chloro-1-phenylethyl)-4-methylpiperidine-1-sulfonamide
CID 65030816

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)azepane-1-sulfonamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)azepane-1-sulfonamide (CID 63183108) is N-(2-hydroxy-1-phenylethyl)azepane-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)azepane-1-sulfonamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)azepane-1-sulfonamide is O=S(=O)(NC(CO)c1ccccc1)N1CCCCCC1.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)azepane-1-sulfonamide?
The InChIKey is JWGPEBUKMJEVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c17-12-14(13-8-4-3-5-9-13)15-20(18,19)16-10-6-1-2-7-11-16/h3-5,8-9,14-15,17H,1-2,6-7,10-12H2.
What are the key properties of N-(2-hydroxy-1-phenylethyl)azepane-1-sulfonamide?
N-(2-hydroxy-1-phenylethyl)azepane-1-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)azepane-1-sulfonamide is sourced from PubChem (CID 63183108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).