[(2R)-2-(diethylsulfamoylamino)-3-hydroxypropyl]benzene

C13H22N2O3S — CID 95040127

IUPAC[(2R)-2-(diethylsulfamoylamino)-3-hydroxypropyl]benzene
SMILESCCN(CC)S(=O)(=O)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C13H22N2O3S/c1-3-15(4-2)19(17,18)14-13(11-16)10-12-8-6-5-7-9-12/h5-9,13-14,16H,3-4,10-11H2,1-2H3/t13-/m1/s1
InChIKeyZKHUCHFSSKZXDM-CYBMUJFWSA-N
MW286.40 g/mol
LogP0.77
Rot. Bonds8

About [(2R)-2-(diethylsulfamoylamino)-3-hydroxypropyl]benzene

[(2R)-2-(diethylsulfamoylamino)-3-hydroxypropyl]benzene (PubChem CID 95040127) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is [(2R)-2-(diethylsulfamoylamino)-3-hydroxypropyl]benzene.

Molecular Properties

Compound Name[(2R)-2-(diethylsulfamoylamino)-3-hydroxypropyl]benzene
PubChem CID95040127
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name[(2R)-2-(diethylsulfamoylamino)-3-hydroxypropyl]benzene
SMILESCCN(CC)S(=O)(=O)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C13H22N2O3S/c1-3-15(4-2)19(17,18)14-13(11-16)10-12-8-6-5-7-9-12/h5-9,13-14,16H,3-4,10-11H2,1-2H3/t13-/m1/s1
InChIKeyZKHUCHFSSKZXDM-CYBMUJFWSA-N
XLogP0.77
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-3-hydroxy-2-(sulfamoylamino)propyl]benzene
CID 104923639
[(1S)-1-(diethylsulfamoylamino)-2-hydroxyethyl]benzene
CID 103825683
(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propan-1-ol
CID 102675491
N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide
CID 5155581
(2S)-N-cyclopropyl-2-(diethylsulfamoylamino)-3-phenylpropanamide
CID 94817333
3-(diethylsulfamoylamino)butylbenzene
CID 86915461
3-[(1-hydroxy-3-phenylpropan-2-yl)sulfamoyl]propanoic acid
CID 63261722
N-(1-hydroxy-3-phenylpropan-2-yl)-1-(2-methylphenyl)methanesulfonamide
CID 75387057
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclohexanesulfonamide
CID 102675549
(2R)-3-phenyl-2-(propylamino)propan-1-ol
CID 59859919
3-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrazole-4-sulfonamide
CID 107860621
[(1-amino-4-methylpentan-2-yl)sulfamoyl-ethylamino]methylbenzene;hydrochloride
CID 119983312

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(diethylsulfamoylamino)-3-hydroxypropyl]benzene?
The IUPAC name of [(2R)-2-(diethylsulfamoylamino)-3-hydroxypropyl]benzene (CID 95040127) is [(2R)-2-(diethylsulfamoylamino)-3-hydroxypropyl]benzene.
What is the SMILES notation for [(2R)-2-(diethylsulfamoylamino)-3-hydroxypropyl]benzene?
The canonical SMILES for [(2R)-2-(diethylsulfamoylamino)-3-hydroxypropyl]benzene is CCN(CC)S(=O)(=O)N[C@@H](CO)Cc1ccccc1.
What is the InChIKey of [(2R)-2-(diethylsulfamoylamino)-3-hydroxypropyl]benzene?
The InChIKey is ZKHUCHFSSKZXDM-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-3-15(4-2)19(17,18)14-13(11-16)10-12-8-6-5-7-9-12/h5-9,13-14,16H,3-4,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of [(2R)-2-(diethylsulfamoylamino)-3-hydroxypropyl]benzene?
[(2R)-2-(diethylsulfamoylamino)-3-hydroxypropyl]benzene has a molecular weight of 286.40 g/mol, XLogP of 0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(diethylsulfamoylamino)-3-hydroxypropyl]benzene is sourced from PubChem (CID 95040127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).