N-methoxy-4-nitrobenzenesulfonamide

C7H8N2O5S — CID 56777248

IUPACN-methoxy-4-nitrobenzenesulfonamide
SMILESCONS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H8N2O5S/c1-14-8-15(12,13)7-4-2-6(3-5-7)9(10)11/h2-5,8H,1H3
InChIKeyZXCCYNKVJANBQU-UHFFFAOYSA-N
MW232.22 g/mol
LogP0.43
Rot. Bonds4

About N-methoxy-4-nitrobenzenesulfonamide

N-methoxy-4-nitrobenzenesulfonamide (PubChem CID 56777248) has the molecular formula C7H8N2O5S and a molecular weight of 232.22 g/mol. Its IUPAC name is N-methoxy-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-methoxy-4-nitrobenzenesulfonamide
PubChem CID56777248
Molecular FormulaC7H8N2O5S
Molecular Weight232.22 g/mol
Exact Mass232.02
IUPAC NameN-methoxy-4-nitrobenzenesulfonamide
SMILESCONS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H8N2O5S/c1-14-8-15(12,13)7-4-2-6(3-5-7)9(10)11/h2-5,8H,1H3
InChIKeyZXCCYNKVJANBQU-UHFFFAOYSA-N
XLogP0.43
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 50.43
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-fluoro-N-methoxy-4-nitrobenzenesulfonamide
CID 61072233
nitrobenzene;(sulfamoylamino)oxymethane
CID 67102701
N-(2-bromoethoxy)-4-nitrobenzenesulfonamide
CID 165482752
4-nitro-N-prop-2-enoxybenzenesulfonamide
CID 134371089
CID 87359197
CID 87359197
N-methoxy-4-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 55704286
N,4-dimethoxy-3-nitrobenzenesulfonamide
CID 60700810
4-nitro-N-(2,3,4,5,6-pentamethylphenyl)benzenesulfonamide
CID 101434436
N-(2-methoxy-4-nitrophenyl)-4-nitrobenzenesulfonamide
CID 3300221
methyl N-[(4-nitrophenyl)sulfonylcarbamoyl]carbamate
CID 23049624
N-(2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride
CID 70066584
N-cyano-4-nitrobenzenesulfonamide
CID 100975639

Frequently Asked Questions

What is the IUPAC name of N-methoxy-4-nitrobenzenesulfonamide?
The IUPAC name of N-methoxy-4-nitrobenzenesulfonamide (CID 56777248) is N-methoxy-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-methoxy-4-nitrobenzenesulfonamide?
The canonical SMILES for N-methoxy-4-nitrobenzenesulfonamide is CONS(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-methoxy-4-nitrobenzenesulfonamide?
The InChIKey is ZXCCYNKVJANBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O5S/c1-14-8-15(12,13)7-4-2-6(3-5-7)9(10)11/h2-5,8H,1H3.
What are the key properties of N-methoxy-4-nitrobenzenesulfonamide?
N-methoxy-4-nitrobenzenesulfonamide has a molecular weight of 232.22 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-4-nitrobenzenesulfonamide is sourced from PubChem (CID 56777248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).