N-(2-hydroxypentyl)-3-nitrobenzenesulfonamide

C11H16N2O5S — CID 104626179

IUPACN-(2-hydroxypentyl)-3-nitrobenzenesulfonamide
SMILESCCCC(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H16N2O5S/c1-2-4-10(14)8-12-19(17,18)11-6-3-5-9(7-11)13(15)16/h3,5-7,10,12,14H,2,4,8H2,1H3
InChIKeyODOXOCYTNNXZTD-UHFFFAOYSA-N
MW288.32 g/mol
LogP1.03
Rot. Bonds7

About N-(2-hydroxypentyl)-3-nitrobenzenesulfonamide

N-(2-hydroxypentyl)-3-nitrobenzenesulfonamide (PubChem CID 104626179) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is N-(2-hydroxypentyl)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxypentyl)-3-nitrobenzenesulfonamide
PubChem CID104626179
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC NameN-(2-hydroxypentyl)-3-nitrobenzenesulfonamide
SMILESCCCC(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H16N2O5S/c1-2-4-10(14)8-12-19(17,18)11-6-3-5-9(7-11)13(15)16/h3,5-7,10,12,14H,2,4,8H2,1H3
InChIKeyODOXOCYTNNXZTD-UHFFFAOYSA-N
XLogP1.03
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 51.03
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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Related Compounds

N-(2-hydroxy-4-methylpentyl)-3-nitrobenzenesulfonamide
CID 104626172
2-hydroxy-3-[(3-nitrophenyl)sulfonylamino]propanamide
CID 106169538
4-amino-N-(2-hydroxypentyl)-3-methylbenzenesulfonamide
CID 113495499
N-(2-hydroxypentyl)-2-methoxy-4-nitrobenzenesulfonamide
CID 115754448
3-nitro-N-octylbenzenesulfonamide
CID 19681347
3,4-difluoro-N-(2-hydroxypentyl)benzenesulfonamide
CID 115754475
N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-nitrobenzenesulfonamide
CID 90497380
N-(2-hydroxybutyl)-4-nitrobenzenesulfonamide
CID 113492787
N-(2-hydroxy-2-methylpropyl)-3-nitrobenzenesulfonamide
CID 65112756
4-[(3-nitrophenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 43016512
N-[2-bromo-4-(2-hydroxypentylsulfamoyl)phenyl]acetamide
CID 119043904
N-(2-hydroxypentyl)-3,5-dimethylbenzenesulfonamide
CID 113496241

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypentyl)-3-nitrobenzenesulfonamide?
The IUPAC name of N-(2-hydroxypentyl)-3-nitrobenzenesulfonamide (CID 104626179) is N-(2-hydroxypentyl)-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxypentyl)-3-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-hydroxypentyl)-3-nitrobenzenesulfonamide is CCCC(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(2-hydroxypentyl)-3-nitrobenzenesulfonamide?
The InChIKey is ODOXOCYTNNXZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-2-4-10(14)8-12-19(17,18)11-6-3-5-9(7-11)13(15)16/h3,5-7,10,12,14H,2,4,8H2,1H3.
What are the key properties of N-(2-hydroxypentyl)-3-nitrobenzenesulfonamide?
N-(2-hydroxypentyl)-3-nitrobenzenesulfonamide has a molecular weight of 288.32 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypentyl)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 104626179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).