N-(2-methoxy-5-nitrophenyl)benzenesulfonamide

C13H12N2O5S — CID 798871

IUPACN-(2-methoxy-5-nitrophenyl)benzenesulfonamide
SMILESCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H12N2O5S/c1-20-13-8-7-10(15(16)17)9-12(13)14-21(18,19)11-5-3-2-4-6-11/h2-9,14H,1H3
InChIKeyMFNJPYSGYCDLNC-UHFFFAOYSA-N
MW308.31 g/mol
LogP2.40
Rot. Bonds5

About N-(2-methoxy-5-nitrophenyl)benzenesulfonamide

N-(2-methoxy-5-nitrophenyl)benzenesulfonamide (PubChem CID 798871) has the molecular formula C13H12N2O5S and a molecular weight of 308.31 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)benzenesulfonamide
PubChem CID798871
Molecular FormulaC13H12N2O5S
Molecular Weight308.31 g/mol
Exact Mass308.05
IUPAC NameN-(2-methoxy-5-nitrophenyl)benzenesulfonamide
SMILESCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H12N2O5S/c1-20-13-8-7-10(15(16)17)9-12(13)14-21(18,19)11-5-3-2-4-6-11/h2-9,14H,1H3
InChIKeyMFNJPYSGYCDLNC-UHFFFAOYSA-N
XLogP2.40
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 52.40
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

N-(2-methoxy-5-nitrophenyl)-4-methylsulfonylbenzenesulfonamide
CID 39392767
3-cyano-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 7938488
N-(2-methoxy-4-nitrophenyl)-4-nitrobenzenesulfonamide
CID 3300221
N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 2834884
N-(2,5-dimethoxyphenyl)-3-nitrobenzenesulfonamide
CID 2885763
3-(benzenesulfonamido)-N-(2-methoxy-5-nitrophenyl)benzamide
CID 19062366
2-methoxy-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3627288
N-[2-(methoxymethyl)-4-nitrophenyl]benzenesulfonamide
CID 122158378
N,N-diethyl-4-methoxy-3-[(3-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 2952239
4-(2,3-dihydroindole-1-carbonyl)-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 26681039
N-(3,5-dimethylphenyl)-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide
CID 26696362
N-(2-methoxy-4-nitrophenyl)-4-propan-2-ylbenzenesulfonamide
CID 22774306

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)benzenesulfonamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)benzenesulfonamide (CID 798871) is N-(2-methoxy-5-nitrophenyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)benzenesulfonamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)benzenesulfonamide is COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)benzenesulfonamide?
The InChIKey is MFNJPYSGYCDLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5S/c1-20-13-8-7-10(15(16)17)9-12(13)14-21(18,19)11-5-3-2-4-6-11/h2-9,14H,1H3.
What are the key properties of N-(2-methoxy-5-nitrophenyl)benzenesulfonamide?
N-(2-methoxy-5-nitrophenyl)benzenesulfonamide has a molecular weight of 308.31 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)benzenesulfonamide is sourced from PubChem (CID 798871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).