5-chloro-N-(4-hydroxy-2-nitrophenyl)-2-methoxybenzenesulfonamide

C13H11ClN2O6S — CID 15983058

IUPAC5-chloro-N-(4-hydroxy-2-nitrophenyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C13H11ClN2O6S/c1-22-12-5-2-8(14)6-13(12)23(20,21)15-10-4-3-9(17)7-11(10)16(18)19/h2-7,15,17H,1H3
InChIKeyJAZHNWOCHUJMEZ-UHFFFAOYSA-N
MW358.76 g/mol
LogP2.76
Rot. Bonds5

About 5-chloro-N-(4-hydroxy-2-nitrophenyl)-2-methoxybenzenesulfonamide

5-chloro-N-(4-hydroxy-2-nitrophenyl)-2-methoxybenzenesulfonamide (PubChem CID 15983058) has the molecular formula C13H11ClN2O6S and a molecular weight of 358.76 g/mol. Its IUPAC name is 5-chloro-N-(4-hydroxy-2-nitrophenyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-(4-hydroxy-2-nitrophenyl)-2-methoxybenzenesulfonamide
PubChem CID15983058
Molecular FormulaC13H11ClN2O6S
Molecular Weight358.76 g/mol
Exact Mass358.00
IUPAC Name5-chloro-N-(4-hydroxy-2-nitrophenyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C13H11ClN2O6S/c1-22-12-5-2-8(14)6-13(12)23(20,21)15-10-4-3-9(17)7-11(10)16(18)19/h2-7,15,17H,1H3
InChIKeyJAZHNWOCHUJMEZ-UHFFFAOYSA-N
XLogP2.76
TPSA118.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.76
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', '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

5-chloro-2-methoxy-N-(2-nitro-4-propoxyphenyl)benzenesulfonamide
CID 110504120
4-[(5-chloro-2-methoxyphenyl)methylamino]-3-nitrophenol
CID 61036662
N-(5-chloro-2-methoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822417
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
5-chloro-N-(2-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 4664874
N-(4-chloro-2-fluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18148025
5-bromo-N-(4-chloro-2-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 155555207
N-(2,4-dichlorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18147971
5-chloro-N-(2,4-dimethylphenyl)-2-methoxybenzenesulfonamide
CID 39845488
5-chloro-N-hydroxy-2-methoxybenzenesulfonamide
CID 82083952
methyl 4-chloro-2-[(5-chloro-2-hydroxy-3-nitrophenyl)sulfamoyl]benzoate
CID 155598000
2-methoxy-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3627288

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-hydroxy-2-nitrophenyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-(4-hydroxy-2-nitrophenyl)-2-methoxybenzenesulfonamide (CID 15983058) is 5-chloro-N-(4-hydroxy-2-nitrophenyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-(4-hydroxy-2-nitrophenyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-(4-hydroxy-2-nitrophenyl)-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)cc1[N+](=O)[O-].
What is the InChIKey of 5-chloro-N-(4-hydroxy-2-nitrophenyl)-2-methoxybenzenesulfonamide?
The InChIKey is JAZHNWOCHUJMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O6S/c1-22-12-5-2-8(14)6-13(12)23(20,21)15-10-4-3-9(17)7-11(10)16(18)19/h2-7,15,17H,1H3.
What are the key properties of 5-chloro-N-(4-hydroxy-2-nitrophenyl)-2-methoxybenzenesulfonamide?
5-chloro-N-(4-hydroxy-2-nitrophenyl)-2-methoxybenzenesulfonamide has a molecular weight of 358.76 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-hydroxy-2-nitrophenyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 15983058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).