2-(2-nitro-6-propylsulfonylanilino)ethanol

C11H16N2O5S — CID 11312262

IUPAC2-(2-nitro-6-propylsulfonylanilino)ethanol
SMILESCCCS(=O)(=O)c1cccc([N+](=O)[O-])c1NCCO
InChIInChI=1S/C11H16N2O5S/c1-2-8-19(17,18)10-5-3-4-9(13(15)16)11(10)12-6-7-14/h3-5,12,14H,2,6-8H2,1H3
InChIKeyIFFLEDXICKWKTA-UHFFFAOYSA-N
MW288.32 g/mol
LogP1.18
Rot. Bonds7

About 2-(2-nitro-6-propylsulfonylanilino)ethanol

2-(2-nitro-6-propylsulfonylanilino)ethanol (PubChem CID 11312262) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-(2-nitro-6-propylsulfonylanilino)ethanol.

Molecular Properties

Compound Name2-(2-nitro-6-propylsulfonylanilino)ethanol
PubChem CID11312262
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Name2-(2-nitro-6-propylsulfonylanilino)ethanol
SMILESCCCS(=O)(=O)c1cccc([N+](=O)[O-])c1NCCO
InChIInChI=1S/C11H16N2O5S/c1-2-8-19(17,18)10-5-3-4-9(13(15)16)11(10)12-6-7-14/h3-5,12,14H,2,6-8H2,1H3
InChIKeyIFFLEDXICKWKTA-UHFFFAOYSA-N
XLogP1.18
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 51.18
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

2-(2-hydroxyethylamino)-N,N-dimethyl-3-nitrobenzenesulfonamide
CID 11266237
2-[2-(2-hydroxyethylsulfonyl)-3-nitrophenyl]sulfonylethanol
CID 160583182
1-chloro-3-nitro-2-propylsulfonylbenzene
CID 117063576
1-ethylsulfonyl-2-nitrobenzene
CID 12646354
N-cyclopropyl-3-nitro-2-(propylamino)benzamide
CID 112580551
N-[2-(2-nitrophenyl)sulfonylethyl]propan-2-amine
CID 64646129
3-nitro-2-(octylamino)benzoic acid
CID 115932549
2-(methoxymethyl)-6-nitro-N-propylaniline
CID 107352092
5-(2-chloro-6-nitroanilino)pentan-1-ol
CID 107318138
N-[2-(2-methyl-6-nitroanilino)ethyl]methanesulfonamide
CID 78918376
2-chloro-6-nitro-N-octylaniline
CID 115569026
N-[2-(2-chloro-6-nitroanilino)ethyl]methanesulfonamide
CID 62085852

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitro-6-propylsulfonylanilino)ethanol?
The IUPAC name of 2-(2-nitro-6-propylsulfonylanilino)ethanol (CID 11312262) is 2-(2-nitro-6-propylsulfonylanilino)ethanol.
What is the SMILES notation for 2-(2-nitro-6-propylsulfonylanilino)ethanol?
The canonical SMILES for 2-(2-nitro-6-propylsulfonylanilino)ethanol is CCCS(=O)(=O)c1cccc([N+](=O)[O-])c1NCCO.
What is the InChIKey of 2-(2-nitro-6-propylsulfonylanilino)ethanol?
The InChIKey is IFFLEDXICKWKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-2-8-19(17,18)10-5-3-4-9(13(15)16)11(10)12-6-7-14/h3-5,12,14H,2,6-8H2,1H3.
What are the key properties of 2-(2-nitro-6-propylsulfonylanilino)ethanol?
2-(2-nitro-6-propylsulfonylanilino)ethanol has a molecular weight of 288.32 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitro-6-propylsulfonylanilino)ethanol is sourced from PubChem (CID 11312262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).