4-hydroxy-N-(4-methoxybutyl)-3-nitrobenzenesulfonamide

C11H16N2O6S — CID 61073218

IUPAC4-hydroxy-N-(4-methoxybutyl)-3-nitrobenzenesulfonamide
SMILESCOCCCCNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C11H16N2O6S/c1-19-7-3-2-6-12-20(17,18)9-4-5-11(14)10(8-9)13(15)16/h4-5,8,12,14H,2-3,6-7H2,1H3
InChIKeyGLDQNUYOKQNYGD-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.01
Rot. Bonds8

About 4-hydroxy-N-(4-methoxybutyl)-3-nitrobenzenesulfonamide

4-hydroxy-N-(4-methoxybutyl)-3-nitrobenzenesulfonamide (PubChem CID 61073218) has the molecular formula C11H16N2O6S and a molecular weight of 304.32 g/mol. Its IUPAC name is 4-hydroxy-N-(4-methoxybutyl)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-(4-methoxybutyl)-3-nitrobenzenesulfonamide
PubChem CID61073218
Molecular FormulaC11H16N2O6S
Molecular Weight304.32 g/mol
Exact Mass304.07
IUPAC Name4-hydroxy-N-(4-methoxybutyl)-3-nitrobenzenesulfonamide
SMILESCOCCCCNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C11H16N2O6S/c1-19-7-3-2-6-12-20(17,18)9-4-5-11(14)10(8-9)13(15)16/h4-5,8,12,14H,2-3,6-7H2,1H3
InChIKeyGLDQNUYOKQNYGD-UHFFFAOYSA-N
XLogP1.01
TPSA118.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

4-hydroxy-N-[2-(2-methoxyethylamino)ethyl]-3-nitrobenzenesulfonamide
CID 83036735
N-(2-methoxyethyl)-4-methyl-3-nitrobenzenesulfonamide
CID 5189780
N-[2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]ethyl]acetamide
CID 43398029
4-hydroxy-N-(4-methoxybutan-2-yl)-3-nitrobenzenesulfonamide
CID 64604894
4-hydroxy-N-methoxy-3-nitrobenzenesulfonamide
CID 60700422
N-(2-but-3-enoxyethyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 106402552
3-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-2-methoxypropanoic acid
CID 106108273
4-hydroxy-N-(3-methylbut-2-enyl)-3-nitrobenzenesulfonamide
CID 106191096
4-hydroxy-3-nitro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 60656162
N-(4-aminobutyl)-4-methoxy-3-nitrobenzenesulfonamide
CID 60895774
2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]acetamide
CID 43217851
N-(2-amino-2-ethylbutyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 115306079

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(4-methoxybutyl)-3-nitrobenzenesulfonamide?
The IUPAC name of 4-hydroxy-N-(4-methoxybutyl)-3-nitrobenzenesulfonamide (CID 61073218) is 4-hydroxy-N-(4-methoxybutyl)-3-nitrobenzenesulfonamide.
What is the SMILES notation for 4-hydroxy-N-(4-methoxybutyl)-3-nitrobenzenesulfonamide?
The canonical SMILES for 4-hydroxy-N-(4-methoxybutyl)-3-nitrobenzenesulfonamide is COCCCCNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-hydroxy-N-(4-methoxybutyl)-3-nitrobenzenesulfonamide?
The InChIKey is GLDQNUYOKQNYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O6S/c1-19-7-3-2-6-12-20(17,18)9-4-5-11(14)10(8-9)13(15)16/h4-5,8,12,14H,2-3,6-7H2,1H3.
What are the key properties of 4-hydroxy-N-(4-methoxybutyl)-3-nitrobenzenesulfonamide?
4-hydroxy-N-(4-methoxybutyl)-3-nitrobenzenesulfonamide has a molecular weight of 304.32 g/mol, XLogP of 1.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(4-methoxybutyl)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 61073218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).