1-(2-amino-5-nitrophenyl)sulfonylethanol

C8H10N2O5S — CID 67948143

IUPAC1-(2-amino-5-nitrophenyl)sulfonylethanol
SMILESCC(O)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C8H10N2O5S/c1-5(11)16(14,15)8-4-6(10(12)13)2-3-7(8)9/h2-5,11H,9H2,1H3
InChIKeyDRUKSNJOLLMPDL-UHFFFAOYSA-N
MW246.24 g/mol
LogP0.29
Rot. Bonds3

About 1-(2-amino-5-nitrophenyl)sulfonylethanol

1-(2-amino-5-nitrophenyl)sulfonylethanol (PubChem CID 67948143) has the molecular formula C8H10N2O5S and a molecular weight of 246.24 g/mol. Its IUPAC name is 1-(2-amino-5-nitrophenyl)sulfonylethanol.

Molecular Properties

Compound Name1-(2-amino-5-nitrophenyl)sulfonylethanol
PubChem CID67948143
Molecular FormulaC8H10N2O5S
Molecular Weight246.24 g/mol
Exact Mass246.03
IUPAC Name1-(2-amino-5-nitrophenyl)sulfonylethanol
SMILESCC(O)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C8H10N2O5S/c1-5(11)16(14,15)8-4-6(10(12)13)2-3-7(8)9/h2-5,11H,9H2,1H3
InChIKeyDRUKSNJOLLMPDL-UHFFFAOYSA-N
XLogP0.29
TPSA123.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3,3-dimethylbutan-2-yl)-5-nitrobenzenesulfonamide
CID 104829823
sodium;2-amino-5-nitrobenzenesulfonate;azane
CID 173065886
2-amino-N-methyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide
CID 62143955
2-amino-N-tert-butyl-5-nitrobenzenesulfonamide
CID 62148445
2-amino-N-(1-methylsulfonylpropan-2-yl)-5-nitrobenzenesulfonamide
CID 64644430
1-(2-amino-5-nitrophenoxy)ethanol
CID 70496099
2-amino-N-(cyclopropylmethyl)-5-nitro-N-propan-2-ylbenzenesulfonamide
CID 62152236
2-amino-N-(1-ethoxypropan-2-yl)-5-nitrobenzenesulfonamide
CID 62156801
2,4-dinitroaniline;sulfuric acid
CID 174852217
2-amino-N-(2-cyanopropyl)-N-ethyl-5-nitrobenzenesulfonamide
CID 62151323
2-amino-N-[3-(dimethylamino)propyl]-5-nitrobenzenesulfonamide
CID 23322298
2-methyl-5-nitroaniline sulfate
CID 20841862

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-nitrophenyl)sulfonylethanol?
The IUPAC name of 1-(2-amino-5-nitrophenyl)sulfonylethanol (CID 67948143) is 1-(2-amino-5-nitrophenyl)sulfonylethanol.
What is the SMILES notation for 1-(2-amino-5-nitrophenyl)sulfonylethanol?
The canonical SMILES for 1-(2-amino-5-nitrophenyl)sulfonylethanol is CC(O)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N.
What is the InChIKey of 1-(2-amino-5-nitrophenyl)sulfonylethanol?
The InChIKey is DRUKSNJOLLMPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O5S/c1-5(11)16(14,15)8-4-6(10(12)13)2-3-7(8)9/h2-5,11H,9H2,1H3.
What are the key properties of 1-(2-amino-5-nitrophenyl)sulfonylethanol?
1-(2-amino-5-nitrophenyl)sulfonylethanol has a molecular weight of 246.24 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-nitrophenyl)sulfonylethanol is sourced from PubChem (CID 67948143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).