N-(4-hydroxyphenyl)-1-(2-nitrophenyl)methanesulfonamide

C13H12N2O5S — CID 62022225

IUPACN-(4-hydroxyphenyl)-1-(2-nitrophenyl)methanesulfonamide
SMILESO=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1ccc(O)cc1
InChIInChI=1S/C13H12N2O5S/c16-12-7-5-11(6-8-12)14-21(19,20)9-10-3-1-2-4-13(10)15(17)18/h1-8,14,16H,9H2
InChIKeyJCCJNPCYMNKLJE-UHFFFAOYSA-N
MW308.31 g/mol
LogP2.24
Rot. Bonds5

About N-(4-hydroxyphenyl)-1-(2-nitrophenyl)methanesulfonamide

N-(4-hydroxyphenyl)-1-(2-nitrophenyl)methanesulfonamide (PubChem CID 62022225) has the molecular formula C13H12N2O5S and a molecular weight of 308.31 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-1-(2-nitrophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-1-(2-nitrophenyl)methanesulfonamide
PubChem CID62022225
Molecular FormulaC13H12N2O5S
Molecular Weight308.31 g/mol
Exact Mass308.05
IUPAC NameN-(4-hydroxyphenyl)-1-(2-nitrophenyl)methanesulfonamide
SMILESO=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1ccc(O)cc1
InChIInChI=1S/C13H12N2O5S/c16-12-7-5-11(6-8-12)14-21(19,20)9-10-3-1-2-4-13(10)15(17)18/h1-8,14,16H,9H2
InChIKeyJCCJNPCYMNKLJE-UHFFFAOYSA-N
XLogP2.24
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-nitrophenyl)methanesulfonamide
CID 3751776
N-(9H-fluoren-2-yl)-1-(2-nitrophenyl)methanesulfonamide
CID 4626592
2-[(2-nitrophenyl)methylsulfonylamino]acetamide
CID 64591767
N-(1,3-dihydroxypropan-2-yl)-1-(2-nitrophenyl)methanesulfonamide
CID 65314292
1-(2-nitrophenyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 3734550
2-methyl-2-[(2-nitrophenyl)methylsulfonylamino]propanoic acid
CID 62022787
1-(2-hydroxy-5-nitrophenyl)-N-phenylmethanesulfonamide
CID 57323610
5-[(2-nitrophenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 86567421
1-(2-nitrophenyl)-N-(1H-1,2,4-triazol-5-yl)methanesulfonamide
CID 62946479
N-[4-(benzenesulfonyl)thiophen-3-yl]-1-(2-nitrophenyl)methanesulfonamide
CID 3447803
4-[(2-nitrophenyl)methylsulfonylamino]butanoic acid
CID 62021246
N-(4-chloro-2-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide
CID 75456857

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-1-(2-nitrophenyl)methanesulfonamide?
The IUPAC name of N-(4-hydroxyphenyl)-1-(2-nitrophenyl)methanesulfonamide (CID 62022225) is N-(4-hydroxyphenyl)-1-(2-nitrophenyl)methanesulfonamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-1-(2-nitrophenyl)methanesulfonamide?
The canonical SMILES for N-(4-hydroxyphenyl)-1-(2-nitrophenyl)methanesulfonamide is O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-1-(2-nitrophenyl)methanesulfonamide?
The InChIKey is JCCJNPCYMNKLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5S/c16-12-7-5-11(6-8-12)14-21(19,20)9-10-3-1-2-4-13(10)15(17)18/h1-8,14,16H,9H2.
What are the key properties of N-(4-hydroxyphenyl)-1-(2-nitrophenyl)methanesulfonamide?
N-(4-hydroxyphenyl)-1-(2-nitrophenyl)methanesulfonamide has a molecular weight of 308.31 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-1-(2-nitrophenyl)methanesulfonamide is sourced from PubChem (CID 62022225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).