N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclohexanesulfonamide

C15H23NO3S — CID 102675549

IUPACN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclohexanesulfonamide
SMILESO=S(=O)(N[C@H](CO)Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C15H23NO3S/c17-12-14(11-13-7-3-1-4-8-13)16-20(18,19)15-9-5-2-6-10-15/h1,3-4,7-8,14-17H,2,5-6,9-12H2/t14-/m0/s1
InChIKeyORNJBRCVOCLISK-AWEZNQCLSA-N
MW297.42 g/mol
LogP1.84
Rot. Bonds6

About N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclohexanesulfonamide

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclohexanesulfonamide (PubChem CID 102675549) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclohexanesulfonamide
PubChem CID102675549
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclohexanesulfonamide
SMILESO=S(=O)(N[C@H](CO)Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C15H23NO3S/c17-12-14(11-13-7-3-1-4-8-13)16-20(18,19)15-9-5-2-6-10-15/h1,3-4,7-8,14-17H,2,5-6,9-12H2/t14-/m0/s1
InChIKeyORNJBRCVOCLISK-AWEZNQCLSA-N
XLogP1.84
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-bromo-3-phenylpropan-2-yl)cyclopentanesulfonamide
CID 105361785
(2R)-2-(cyclohexylsulfonylamino)-3-phenylpropanoic acid
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N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1,1-dioxothiolane-3-sulfonamide
CID 107861485
[(2R)-3-hydroxy-2-(sulfamoylamino)propyl]benzene
CID 104923639
(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propan-1-ol
CID 102675491
N-(1-hydroxy-3-phenylpropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 63261000
2-cycloheptyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 102673858
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)cyclohexane-1-carboxamide
CID 64824862
[(2R)-2-(diethylsulfamoylamino)-3-hydroxypropyl]benzene
CID 95040127
3-[(1-hydroxy-3-phenylpropan-2-yl)sulfamoyl]propanoic acid
CID 63261722
2-cyclohexyloxy-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide
CID 109388009
2-(cyclopentylamino)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 107860961

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclohexanesulfonamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclohexanesulfonamide (CID 102675549) is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclohexanesulfonamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclohexanesulfonamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclohexanesulfonamide is O=S(=O)(N[C@H](CO)Cc1ccccc1)C1CCCCC1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclohexanesulfonamide?
The InChIKey is ORNJBRCVOCLISK-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23NO3S/c17-12-14(11-13-7-3-1-4-8-13)16-20(18,19)15-9-5-2-6-10-15/h1,3-4,7-8,14-17H,2,5-6,9-12H2/t14-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclohexanesulfonamide?
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclohexanesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclohexanesulfonamide is sourced from PubChem (CID 102675549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).