N-(2-hydroxy-4-nitrophenyl)-4-methylbenzenesulfonamide

C13H12N2O5S — CID 3559326

IUPACN-(2-hydroxy-4-nitrophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1
InChIInChI=1S/C13H12N2O5S/c1-9-2-5-11(6-3-9)21(19,20)14-12-7-4-10(15(17)18)8-13(12)16/h2-8,14,16H,1H3
InChIKeyWDJRRDHEWSSLQC-UHFFFAOYSA-N
MW308.32 g/mol
LogP2.41
Rot. Bonds4

About N-(2-hydroxy-4-nitrophenyl)-4-methylbenzenesulfonamide

N-(2-hydroxy-4-nitrophenyl)-4-methylbenzenesulfonamide (PubChem CID 3559326) has the molecular formula C13H12N2O5S and a molecular weight of 308.32 g/mol. Its IUPAC name is N-(2-hydroxy-4-nitrophenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-nitrophenyl)-4-methylbenzenesulfonamide
PubChem CID3559326
Molecular FormulaC13H12N2O5S
Molecular Weight308.32 g/mol
Exact Mass308.05
IUPAC NameN-(2-hydroxy-4-nitrophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1
InChIInChI=1S/C13H12N2O5S/c1-9-2-5-11(6-3-9)21(19,20)14-12-7-4-10(15(17)18)8-13(12)16/h2-8,14,16H,1H3
InChIKeyWDJRRDHEWSSLQC-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 ≤ 500308.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', '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

p-Toluenesulfonic acid, m-nitrophenyl ester
CID 94890
3-[(2-Hydroxy-4-nitrophenyl)sulfamoyl]benzoic acid
CID 3532905
N-(2-hydroxyphenyl)-3-nitrobenzenesulfonamide
CID 2835148
4'-Amino-2'-hydroxybenzenesulfonanilide
CID 3608856
2'-Hydroxy-4'-nitrobenzenesulfonanilide
CID 5225749
N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 284336
4-(Sec-butyl)-2'-hydroxy-4'-nitrobenzenesulfonanilide
CID 3613940
N-(2-hydroxy-5-nitrophenyl)-4-propylbenzenesulfonamide
CID 8191589
N-(3-hydroxy-4-methylphenyl)-4-nitrobenzenesulfonamide
CID 11197583
4-butyl-N-(2-hydroxy-5-nitrophenyl)benzenesulfonamide
CID 44293861
N-(m-Hydroxyphenyl)-p-toluenesulphonamide
CID 77347
N-(2-hydroxy-5-methylphenyl)-4-nitrobenzenesulfonamide
CID 804163

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-nitrophenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxy-4-nitrophenyl)-4-methylbenzenesulfonamide (CID 3559326) is N-(2-hydroxy-4-nitrophenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-4-nitrophenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-4-nitrophenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1.
What is the InChIKey of N-(2-hydroxy-4-nitrophenyl)-4-methylbenzenesulfonamide?
The InChIKey is WDJRRDHEWSSLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5S/c1-9-2-5-11(6-3-9)21(19,20)14-12-7-4-10(15(17)18)8-13(12)16/h2-8,14,16H,1H3.
What are the key properties of N-(2-hydroxy-4-nitrophenyl)-4-methylbenzenesulfonamide?
N-(2-hydroxy-4-nitrophenyl)-4-methylbenzenesulfonamide has a molecular weight of 308.32 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 N-(2-hydroxy-4-nitrophenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 3559326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).