4-hydroxy-N-methoxy-3-nitrobenzenesulfonamide

C7H8N2O6S — CID 60700422

IUPAC4-hydroxy-N-methoxy-3-nitrobenzenesulfonamide
SMILESCONS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C7H8N2O6S/c1-15-8-16(13,14)5-2-3-7(10)6(4-5)9(11)12/h2-4,8,10H,1H3
InChIKeyFQOGINRGFUKLRC-UHFFFAOYSA-N
MW248.22 g/mol
LogP0.14
Rot. Bonds4

About 4-hydroxy-N-methoxy-3-nitrobenzenesulfonamide

4-hydroxy-N-methoxy-3-nitrobenzenesulfonamide (PubChem CID 60700422) has the molecular formula C7H8N2O6S and a molecular weight of 248.22 g/mol. Its IUPAC name is 4-hydroxy-N-methoxy-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-methoxy-3-nitrobenzenesulfonamide
PubChem CID60700422
Molecular FormulaC7H8N2O6S
Molecular Weight248.22 g/mol
Exact Mass248.01
IUPAC Name4-hydroxy-N-methoxy-3-nitrobenzenesulfonamide
SMILESCONS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C7H8N2O6S/c1-15-8-16(13,14)5-2-3-7(10)6(4-5)9(11)12/h2-4,8,10H,1H3
InChIKeyFQOGINRGFUKLRC-UHFFFAOYSA-N
XLogP0.14
TPSA118.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.22
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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,4-dimethoxy-3-nitrobenzenesulfonamide
CID 60700810
3-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-2-methoxypropanoic acid
CID 106108273
4-hydroxy-N-(4-methoxybutyl)-3-nitrobenzenesulfonamide
CID 61073218
2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]acetamide
CID 43217851
N-(2,6-dimethylphenyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 31579190
4-hydroxy-N-[2-(2-methoxyethylamino)ethyl]-3-nitrobenzenesulfonamide
CID 83036735
2-[[(4-hydroxy-3-nitrophenyl)sulfonylamino]methyl]butanoic acid
CID 65222533
4-hydroxy-N-(4-methoxybutan-2-yl)-3-nitrobenzenesulfonamide
CID 64604894
4-hydroxy-3-nitrobenzenesulfonyl chloride
CID 3670479
N-methoxy-4-nitrobenzenesulfonamide
CID 56777248
N-(4-ethylsulfonylphenyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 30180860
4-hydroxy-N-(3-methylbut-2-enyl)-3-nitrobenzenesulfonamide
CID 106191096

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methoxy-3-nitrobenzenesulfonamide?
The IUPAC name of 4-hydroxy-N-methoxy-3-nitrobenzenesulfonamide (CID 60700422) is 4-hydroxy-N-methoxy-3-nitrobenzenesulfonamide.
What is the SMILES notation for 4-hydroxy-N-methoxy-3-nitrobenzenesulfonamide?
The canonical SMILES for 4-hydroxy-N-methoxy-3-nitrobenzenesulfonamide is CONS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-hydroxy-N-methoxy-3-nitrobenzenesulfonamide?
The InChIKey is FQOGINRGFUKLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O6S/c1-15-8-16(13,14)5-2-3-7(10)6(4-5)9(11)12/h2-4,8,10H,1H3.
What are the key properties of 4-hydroxy-N-methoxy-3-nitrobenzenesulfonamide?
4-hydroxy-N-methoxy-3-nitrobenzenesulfonamide has a molecular weight of 248.22 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-methoxy-3-nitrobenzenesulfonamide is sourced from PubChem (CID 60700422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).