N-[3-(2-hydroxy-3-nitrophenyl)phenyl]methanesulfonamide

C13H12N2O5S — CID 69009901

IUPACN-[3-(2-hydroxy-3-nitrophenyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2cccc([N+](=O)[O-])c2O)c1
InChIInChI=1S/C13H12N2O5S/c1-21(19,20)14-10-5-2-4-9(8-10)11-6-3-7-12(13(11)16)15(17)18/h2-8,14,16H,1H3
InChIKeyWNIATLULCAMPEW-UHFFFAOYSA-N
MW308.32 g/mol
LogP2.34
Rot. Bonds4

About N-[3-(2-hydroxy-3-nitrophenyl)phenyl]methanesulfonamide

N-[3-(2-hydroxy-3-nitrophenyl)phenyl]methanesulfonamide (PubChem CID 69009901) has the molecular formula C13H12N2O5S and a molecular weight of 308.32 g/mol. Its IUPAC name is N-[3-(2-hydroxy-3-nitrophenyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-hydroxy-3-nitrophenyl)phenyl]methanesulfonamide
PubChem CID69009901
Molecular FormulaC13H12N2O5S
Molecular Weight308.32 g/mol
Exact Mass308.05
IUPAC NameN-[3-(2-hydroxy-3-nitrophenyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2cccc([N+](=O)[O-])c2O)c1
InChIInChI=1S/C13H12N2O5S/c1-21(19,20)14-10-5-2-4-9(8-10)11-6-3-7-12(13(11)16)15(17)18/h2-8,14,16H,1H3
InChIKeyWNIATLULCAMPEW-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-hydroxy-3-nitrophenyl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(2-hydroxy-3-nitrophenyl)phenyl]methanesulfonamide (CID 69009901) is N-[3-(2-hydroxy-3-nitrophenyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(2-hydroxy-3-nitrophenyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(2-hydroxy-3-nitrophenyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2cccc([N+](=O)[O-])c2O)c1.
What is the InChIKey of N-[3-(2-hydroxy-3-nitrophenyl)phenyl]methanesulfonamide?
The InChIKey is WNIATLULCAMPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5S/c1-21(19,20)14-10-5-2-4-9(8-10)11-6-3-7-12(13(11)16)15(17)18/h2-8,14,16H,1H3.
What are the key properties of N-[3-(2-hydroxy-3-nitrophenyl)phenyl]methanesulfonamide?
N-[3-(2-hydroxy-3-nitrophenyl)phenyl]methanesulfonamide has a molecular weight of 308.32 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-hydroxy-3-nitrophenyl)phenyl]methanesulfonamide is sourced from PubChem (CID 69009901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).