(2R)-2-(2-nitrophenyl)sulfonylpentane-1,5-diol

C11H15NO6S — CID 102590988

IUPAC(2R)-2-(2-nitrophenyl)sulfonylpentane-1,5-diol
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)[C@@H](CO)CCCO
InChIInChI=1S/C11H15NO6S/c13-7-3-4-9(8-14)19(17,18)11-6-2-1-5-10(11)12(15)16/h1-2,5-6,9,13-14H,3-4,7-8H2/t9-/m1/s1
InChIKeyJVAGNTBRHUXSKX-SECBINFHSA-N
MW289.31 g/mol
LogP0.50
Rot. Bonds7

About (2R)-2-(2-nitrophenyl)sulfonylpentane-1,5-diol

(2R)-2-(2-nitrophenyl)sulfonylpentane-1,5-diol (PubChem CID 102590988) has the molecular formula C11H15NO6S and a molecular weight of 289.31 g/mol. Its IUPAC name is (2R)-2-(2-nitrophenyl)sulfonylpentane-1,5-diol.

Molecular Properties

Compound Name(2R)-2-(2-nitrophenyl)sulfonylpentane-1,5-diol
PubChem CID102590988
Molecular FormulaC11H15NO6S
Molecular Weight289.31 g/mol
Exact Mass289.06
IUPAC Name(2R)-2-(2-nitrophenyl)sulfonylpentane-1,5-diol
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)[C@@H](CO)CCCO
InChIInChI=1S/C11H15NO6S/c13-7-3-4-9(8-14)19(17,18)11-6-2-1-5-10(11)12(15)16/h1-2,5-6,9,13-14H,3-4,7-8H2/t9-/m1/s1
InChIKeyJVAGNTBRHUXSKX-SECBINFHSA-N
XLogP0.50
TPSA117.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxypropyl)-2-nitrobenzenesulfonamide
CID 4145930
3-amino-4-(2-nitrophenyl)sulfonylbutan-1-ol
CID 64898211
(2S)-2-aminobutan-1-ol;N-(2-hydroxyethyl)-N-(3-hydroxypropyl)-2-nitrobenzenesulfonamide
CID 161349871
4-(2-nitrophenyl)sulfonylpentan-2-one
CID 64705039
ethyl 2-(2-nitrophenyl)sulfonylpentanoate
CID 83037327
1-nitro-2-(2-nitrophenyl)sulfonylsulfonylbenzene
CID 54533031
1-ethylsulfonyl-2-nitrobenzene
CID 12646354
N-[(2R)-1-(4-hydroxybutylamino)propan-2-yl]-2-nitrobenzenesulfonamide
CID 122202507
2-nitro-N-[3-[(2-nitrophenyl)sulfonyl-[2-[(2-nitrophenyl)sulfonyl-[3-[(2-nitrophenyl)sulfonylamino]propyl]amino]ethyl]amino]propyl]benzenesulfonamide
CID 11104964
N,N-bis[(2S)-butan-2-yl]-2-nitrobenzenesulfonamide
CID 845097
N,N-di(butan-2-yl)-2-nitrobenzenesulfonamide
CID 2933512
iron(2+);bis(2-nitrobenzenesulfonate)
CID 141179187

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-nitrophenyl)sulfonylpentane-1,5-diol?
The IUPAC name of (2R)-2-(2-nitrophenyl)sulfonylpentane-1,5-diol (CID 102590988) is (2R)-2-(2-nitrophenyl)sulfonylpentane-1,5-diol.
What is the SMILES notation for (2R)-2-(2-nitrophenyl)sulfonylpentane-1,5-diol?
The canonical SMILES for (2R)-2-(2-nitrophenyl)sulfonylpentane-1,5-diol is O=[N+]([O-])c1ccccc1S(=O)(=O)[C@@H](CO)CCCO.
What is the InChIKey of (2R)-2-(2-nitrophenyl)sulfonylpentane-1,5-diol?
The InChIKey is JVAGNTBRHUXSKX-SECBINFHSA-N. The full InChI is InChI=1S/C11H15NO6S/c13-7-3-4-9(8-14)19(17,18)11-6-2-1-5-10(11)12(15)16/h1-2,5-6,9,13-14H,3-4,7-8H2/t9-/m1/s1.
What are the key properties of (2R)-2-(2-nitrophenyl)sulfonylpentane-1,5-diol?
(2R)-2-(2-nitrophenyl)sulfonylpentane-1,5-diol has a molecular weight of 289.31 g/mol, XLogP of 0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-nitrophenyl)sulfonylpentane-1,5-diol is sourced from PubChem (CID 102590988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).