[(2R)-3-hydroxy-2-(sulfamoylamino)propyl]benzene

C9H14N2O3S — CID 104923639

IUPAC[(2R)-3-hydroxy-2-(sulfamoylamino)propyl]benzene
SMILESNS(=O)(=O)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C9H14N2O3S/c10-15(13,14)11-9(7-12)6-8-4-2-1-3-5-8/h1-5,9,11-12H,6-7H2,(H2,10,13,14)/t9-/m1/s1
InChIKeyQFXCDACLSRWVTF-SECBINFHSA-N
MW230.29 g/mol
LogP-0.62
Rot. Bonds5

About [(2R)-3-hydroxy-2-(sulfamoylamino)propyl]benzene

[(2R)-3-hydroxy-2-(sulfamoylamino)propyl]benzene (PubChem CID 104923639) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is [(2R)-3-hydroxy-2-(sulfamoylamino)propyl]benzene.

Molecular Properties

Compound Name[(2R)-3-hydroxy-2-(sulfamoylamino)propyl]benzene
PubChem CID104923639
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name[(2R)-3-hydroxy-2-(sulfamoylamino)propyl]benzene
SMILESNS(=O)(=O)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C9H14N2O3S/c10-15(13,14)11-9(7-12)6-8-4-2-1-3-5-8/h1-5,9,11-12H,6-7H2,(H2,10,13,14)/t9-/m1/s1
InChIKeyQFXCDACLSRWVTF-SECBINFHSA-N
XLogP-0.62
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propan-1-ol
CID 102675491
[(2R)-2-(diethylsulfamoylamino)-3-hydroxypropyl]benzene
CID 95040127
3-[(1-hydroxy-3-phenylpropan-2-yl)sulfamoyl]propanoic acid
CID 63261722
2-[(1-hydroxy-3-phenylpropan-2-yl)amino]benzenesulfonamide
CID 63260686
N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide
CID 5155581
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclohexanesulfonamide
CID 102675549
N-(1-hydroxy-3-phenylpropan-2-yl)-1-(2-methylphenyl)methanesulfonamide
CID 75387057
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]morpholine-4-sulfonamide
CID 102675573
1,3-diphenylpropane-2-sulfonamide
CID 62084735
3-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrazole-4-sulfonamide
CID 107860621
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,5-dimethylthiophene-3-sulfonamide
CID 102675582

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-hydroxy-2-(sulfamoylamino)propyl]benzene?
The IUPAC name of [(2R)-3-hydroxy-2-(sulfamoylamino)propyl]benzene (CID 104923639) is [(2R)-3-hydroxy-2-(sulfamoylamino)propyl]benzene.
What is the SMILES notation for [(2R)-3-hydroxy-2-(sulfamoylamino)propyl]benzene?
The canonical SMILES for [(2R)-3-hydroxy-2-(sulfamoylamino)propyl]benzene is NS(=O)(=O)N[C@@H](CO)Cc1ccccc1.
What is the InChIKey of [(2R)-3-hydroxy-2-(sulfamoylamino)propyl]benzene?
The InChIKey is QFXCDACLSRWVTF-SECBINFHSA-N. The full InChI is InChI=1S/C9H14N2O3S/c10-15(13,14)11-9(7-12)6-8-4-2-1-3-5-8/h1-5,9,11-12H,6-7H2,(H2,10,13,14)/t9-/m1/s1.
What are the key properties of [(2R)-3-hydroxy-2-(sulfamoylamino)propyl]benzene?
[(2R)-3-hydroxy-2-(sulfamoylamino)propyl]benzene has a molecular weight of 230.29 g/mol, XLogP of -0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-hydroxy-2-(sulfamoylamino)propyl]benzene is sourced from PubChem (CID 104923639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).