N-(2-hydroxyethyl)-4-nitrobenzenesulfonamide

C8H10N2O5S — CID 22733781

IUPACN-(2-hydroxyethyl)-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)NCCO)cc1
InChIInChI=1S/C8H10N2O5S/c11-6-5-9-16(14,15)8-3-1-7(2-4-8)10(12)13/h1-4,9,11H,5-6H2
InChIKeyRRXYYTBAMKTKSY-UHFFFAOYSA-N
MW246.24 g/mol
LogP-0.13
Rot. Bonds5

About N-(2-hydroxyethyl)-4-nitrobenzenesulfonamide

N-(2-hydroxyethyl)-4-nitrobenzenesulfonamide (PubChem CID 22733781) has the molecular formula C8H10N2O5S and a molecular weight of 246.24 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-nitrobenzenesulfonamide
PubChem CID22733781
Molecular FormulaC8H10N2O5S
Molecular Weight246.24 g/mol
Exact Mass246.03
IUPAC NameN-(2-hydroxyethyl)-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)NCCO)cc1
InChIInChI=1S/C8H10N2O5S/c11-6-5-9-16(14,15)8-3-1-7(2-4-8)10(12)13/h1-4,9,11H,5-6H2
InChIKeyRRXYYTBAMKTKSY-UHFFFAOYSA-N
XLogP-0.13
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-nitrobenzenesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-4-nitrobenzenesulfonamide (CID 22733781) is N-(2-hydroxyethyl)-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-nitrobenzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)NCCO)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-4-nitrobenzenesulfonamide?
The InChIKey is RRXYYTBAMKTKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O5S/c11-6-5-9-16(14,15)8-3-1-7(2-4-8)10(12)13/h1-4,9,11H,5-6H2.
What are the key properties of N-(2-hydroxyethyl)-4-nitrobenzenesulfonamide?
N-(2-hydroxyethyl)-4-nitrobenzenesulfonamide has a molecular weight of 246.24 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-nitrobenzenesulfonamide is sourced from PubChem (CID 22733781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).