2-(2-hydroxyethyl)-N,N-dimethyl-5-nitrobenzenesulfonamide

C10H14N2O5S — CID 162727170

IUPAC2-(2-hydroxyethyl)-N,N-dimethyl-5-nitrobenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1CCO
InChIInChI=1S/C10H14N2O5S/c1-11(2)18(16,17)10-7-9(12(14)15)4-3-8(10)5-6-13/h3-4,7,13H,5-6H2,1-2H3
InChIKeyNPHMAUVHQTUGJE-UHFFFAOYSA-N
MW274.30 g/mol
LogP0.38
Rot. Bonds5

About 2-(2-hydroxyethyl)-N,N-dimethyl-5-nitrobenzenesulfonamide

2-(2-hydroxyethyl)-N,N-dimethyl-5-nitrobenzenesulfonamide (PubChem CID 162727170) has the molecular formula C10H14N2O5S and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-N,N-dimethyl-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-N,N-dimethyl-5-nitrobenzenesulfonamide
PubChem CID162727170
Molecular FormulaC10H14N2O5S
Molecular Weight274.30 g/mol
Exact Mass274.06
IUPAC Name2-(2-hydroxyethyl)-N,N-dimethyl-5-nitrobenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1CCO
InChIInChI=1S/C10H14N2O5S/c1-11(2)18(16,17)10-7-9(12(14)15)4-3-8(10)5-6-13/h3-4,7,13H,5-6H2,1-2H3
InChIKeyNPHMAUVHQTUGJE-UHFFFAOYSA-N
XLogP0.38
TPSA100.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 50.38
H-Bond Donors ≤ 51
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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Related Compounds

2-(hydroxymethyl)-N,N-dimethyl-5-nitrobenzenesulfonamide
CID 162727781
2-(ethylamino)-N,N-dimethyl-5-nitrobenzenesulfonamide
CID 62148765
N,N,2-trimethyl-4-nitrobenzenesulfonamide
CID 37477641
azane;2-(2-hydroxyethyl)-5-nitrophenol
CID 19911095
N-[2-(2-hydroxyethyl)-4-nitrophenyl]acetamide
CID 141224369
2-hydrazinyl-N,N-dimethyl-4-nitrobenzenesulfonamide
CID 43142166
N-(2-hydroxyethyl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide
CID 15590967
2-[3-amino-3-(dimethylamino)propyl]-N-methyl-5-nitrobenzenesulfonamide;hydrochloride
CID 70466543
2-[[2-hydroxyethyl(methyl)amino]methyl]-4-nitrophenol
CID 68609298
N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-nitrobenzenesulfonamide
CID 54878677
2-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-5-nitrobenzenesulfonamide
CID 104553539
2-[(2-chloro-5-nitrophenyl)methyl-methylamino]ethanol
CID 60960383

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-N,N-dimethyl-5-nitrobenzenesulfonamide?
The IUPAC name of 2-(2-hydroxyethyl)-N,N-dimethyl-5-nitrobenzenesulfonamide (CID 162727170) is 2-(2-hydroxyethyl)-N,N-dimethyl-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-(2-hydroxyethyl)-N,N-dimethyl-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-(2-hydroxyethyl)-N,N-dimethyl-5-nitrobenzenesulfonamide is CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1CCO.
What is the InChIKey of 2-(2-hydroxyethyl)-N,N-dimethyl-5-nitrobenzenesulfonamide?
The InChIKey is NPHMAUVHQTUGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S/c1-11(2)18(16,17)10-7-9(12(14)15)4-3-8(10)5-6-13/h3-4,7,13H,5-6H2,1-2H3.
What are the key properties of 2-(2-hydroxyethyl)-N,N-dimethyl-5-nitrobenzenesulfonamide?
2-(2-hydroxyethyl)-N,N-dimethyl-5-nitrobenzenesulfonamide has a molecular weight of 274.30 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-N,N-dimethyl-5-nitrobenzenesulfonamide is sourced from PubChem (CID 162727170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).