3-hydroxy-N-(2-methyl-3-nitrophenyl)benzenesulfonamide

C13H12N2O5S — CID 107810881

IUPAC3-hydroxy-N-(2-methyl-3-nitrophenyl)benzenesulfonamide
SMILESCc1c(NS(=O)(=O)c2cccc(O)c2)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H12N2O5S/c1-9-12(6-3-7-13(9)15(17)18)14-21(19,20)11-5-2-4-10(16)8-11/h2-8,14,16H,1H3
InChIKeyHBTOMGNJWQKJFD-UHFFFAOYSA-N
MW308.31 g/mol
LogP2.41
Rot. Bonds4

About 3-hydroxy-N-(2-methyl-3-nitrophenyl)benzenesulfonamide

3-hydroxy-N-(2-methyl-3-nitrophenyl)benzenesulfonamide (PubChem CID 107810881) has the molecular formula C13H12N2O5S and a molecular weight of 308.31 g/mol. Its IUPAC name is 3-hydroxy-N-(2-methyl-3-nitrophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-methyl-3-nitrophenyl)benzenesulfonamide
PubChem CID107810881
Molecular FormulaC13H12N2O5S
Molecular Weight308.31 g/mol
Exact Mass308.05
IUPAC Name3-hydroxy-N-(2-methyl-3-nitrophenyl)benzenesulfonamide
SMILESCc1c(NS(=O)(=O)c2cccc(O)c2)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H12N2O5S/c1-9-12(6-3-7-13(9)15(17)18)14-21(19,20)11-5-2-4-10(16)8-11/h2-8,14,16H,1H3
InChIKeyHBTOMGNJWQKJFD-UHFFFAOYSA-N
XLogP2.41
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
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-chloro-3-nitrophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 87933653
N-(2-methyl-3-nitrophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629391
2-methyl-3-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide
CID 39846212
2-methyl-1-nitro-3-(sulfamoylamino)benzene
CID 112573289
N-(2,3-dimethylphenyl)-3-nitrobenzenesulfonamide
CID 22773660
N-(2,6-dimethylphenyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 31579190
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methyl-3-nitrobenzamide
CID 26593187
N-(2,3-dichlorophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 3322444
N-(2-methyl-3-nitrophenyl)hydroxylamine
CID 5489549
4-hydroxy-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide
CID 25065487
N-(2-iodophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 563423
3-(ethylsulfamoyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 26796668

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-methyl-3-nitrophenyl)benzenesulfonamide?
The IUPAC name of 3-hydroxy-N-(2-methyl-3-nitrophenyl)benzenesulfonamide (CID 107810881) is 3-hydroxy-N-(2-methyl-3-nitrophenyl)benzenesulfonamide.
What is the SMILES notation for 3-hydroxy-N-(2-methyl-3-nitrophenyl)benzenesulfonamide?
The canonical SMILES for 3-hydroxy-N-(2-methyl-3-nitrophenyl)benzenesulfonamide is Cc1c(NS(=O)(=O)c2cccc(O)c2)cccc1[N+](=O)[O-].
What is the InChIKey of 3-hydroxy-N-(2-methyl-3-nitrophenyl)benzenesulfonamide?
The InChIKey is HBTOMGNJWQKJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5S/c1-9-12(6-3-7-13(9)15(17)18)14-21(19,20)11-5-2-4-10(16)8-11/h2-8,14,16H,1H3.
What are the key properties of 3-hydroxy-N-(2-methyl-3-nitrophenyl)benzenesulfonamide?
3-hydroxy-N-(2-methyl-3-nitrophenyl)benzenesulfonamide has a molecular weight of 308.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2-methyl-3-nitrophenyl)benzenesulfonamide is sourced from PubChem (CID 107810881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).