4-methoxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide

C19H16N2O6S — CID 4801341

IUPAC4-methoxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H16N2O6S/c1-26-19-12-11-15(13-17(19)21(22)23)28(24,25)20-16-9-5-6-10-18(16)27-14-7-3-2-4-8-14/h2-13,20H,1H3
InChIKeyOMFFSQWFFTZAMS-UHFFFAOYSA-N
MW400.41 g/mol
LogP4.20
Rot. Bonds7

About 4-methoxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide

4-methoxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide (PubChem CID 4801341) has the molecular formula C19H16N2O6S and a molecular weight of 400.41 g/mol. Its IUPAC name is 4-methoxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide
PubChem CID4801341
Molecular FormulaC19H16N2O6S
Molecular Weight400.41 g/mol
Exact Mass400.07
IUPAC Name4-methoxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H16N2O6S/c1-26-19-12-11-15(13-17(19)21(22)23)28(24,25)20-16-9-5-6-10-18(16)27-14-7-3-2-4-8-14/h2-13,20H,1H3
InChIKeyOMFFSQWFFTZAMS-UHFFFAOYSA-N
XLogP4.20
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
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

4-hydroxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide
CID 31579159
4-methoxy-3-nitro-N-(2-phenylphenyl)benzenesulfonamide
CID 7939180
N-(2-chlorophenyl)-4-methoxy-3-nitrobenzenesulfonamide
CID 3964142
N-[2-methoxy-5-[(2-phenoxyphenyl)sulfamoyl]phenyl]acetamide
CID 71903158
2-nitro-N-(2-phenoxyphenyl)benzenesulfonamide
CID 4142655
N-(4-fluoro-2-methylphenyl)-4-methoxy-3-nitrobenzenesulfonamide
CID 4815997
4-methoxy-3-nitro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzenesulfonamide
CID 16962565
5-bromo-2-[(4-methoxy-3-nitrophenyl)sulfonylamino]benzoic acid
CID 21065061
N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 2834884
3-nitro-4-(2-phenoxyanilino)benzenesulfonamide
CID 22730653
N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxy-3-nitrobenzenesulfonamide
CID 121315036
N,4-dimethoxy-3-nitrobenzenesulfonamide
CID 60700810

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide (CID 4801341) is 4-methoxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide?
The InChIKey is OMFFSQWFFTZAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O6S/c1-26-19-12-11-15(13-17(19)21(22)23)28(24,25)20-16-9-5-6-10-18(16)27-14-7-3-2-4-8-14/h2-13,20H,1H3.
What are the key properties of 4-methoxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide?
4-methoxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide has a molecular weight of 400.41 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 4801341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).