1-(2-hydroxy-5-nitrophenyl)-N-phenylmethanesulfonamide

C13H12N2O5S — CID 57323610

IUPAC1-(2-hydroxy-5-nitrophenyl)-N-phenylmethanesulfonamide
SMILESO=[N+]([O-])c1ccc(O)c(CS(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C13H12N2O5S/c16-13-7-6-12(15(17)18)8-10(13)9-21(19,20)14-11-4-2-1-3-5-11/h1-8,14,16H,9H2
InChIKeyPVFJIAOKFZRCFH-UHFFFAOYSA-N
MW308.31 g/mol
LogP2.24
Rot. Bonds5

About 1-(2-hydroxy-5-nitrophenyl)-N-phenylmethanesulfonamide

1-(2-hydroxy-5-nitrophenyl)-N-phenylmethanesulfonamide (PubChem CID 57323610) has the molecular formula C13H12N2O5S and a molecular weight of 308.31 g/mol. Its IUPAC name is 1-(2-hydroxy-5-nitrophenyl)-N-phenylmethanesulfonamide.

Molecular Properties

Compound Name1-(2-hydroxy-5-nitrophenyl)-N-phenylmethanesulfonamide
PubChem CID57323610
Molecular FormulaC13H12N2O5S
Molecular Weight308.31 g/mol
Exact Mass308.05
IUPAC Name1-(2-hydroxy-5-nitrophenyl)-N-phenylmethanesulfonamide
SMILESO=[N+]([O-])c1ccc(O)c(CS(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C13H12N2O5S/c16-13-7-6-12(15(17)18)8-10(13)9-21(19,20)14-11-4-2-1-3-5-11/h1-8,14,16H,9H2
InChIKeyPVFJIAOKFZRCFH-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxyphenyl)-1-(2-nitrophenyl)methanesulfonamide
CID 62022225
2-[(2-hydroxyanilino)methyl]-4-nitrophenol
CID 83321921
(2-hydroxy-5-nitrophenyl)methylphosphanium bromide
CID 158775878
2-(aminomethyl)-4-nitrophenol
CID 2115073
4-nitro-2-(pyridin-1-ium-1-ylmethyl)phenol
CID 3812937
2-[(2-hydroxy-5-nitrophenyl)methoxymethyl]-4-nitrophenol
CID 56975056
1-(3-nitrophenyl)-N-(4-phenylmethoxyphenyl)methanesulfonamide
CID 46778123
5-nitro-N-phenyl-2-propylbenzenesulfonamide
CID 71431777
2-[(acridin-9-ylamino)methyl]-4-nitrophenol
CID 45103228
2-(hydroxymethyl)-4-nitrophenol;propane
CID 142101153
2-[(N-naphthalen-2-ylanilino)methyl]-4-nitrophenol
CID 4598478
2-[(3-hydroxypropylamino)methyl]-4-nitrophenol
CID 82679278

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-5-nitrophenyl)-N-phenylmethanesulfonamide?
The IUPAC name of 1-(2-hydroxy-5-nitrophenyl)-N-phenylmethanesulfonamide (CID 57323610) is 1-(2-hydroxy-5-nitrophenyl)-N-phenylmethanesulfonamide.
What is the SMILES notation for 1-(2-hydroxy-5-nitrophenyl)-N-phenylmethanesulfonamide?
The canonical SMILES for 1-(2-hydroxy-5-nitrophenyl)-N-phenylmethanesulfonamide is O=[N+]([O-])c1ccc(O)c(CS(=O)(=O)Nc2ccccc2)c1.
What is the InChIKey of 1-(2-hydroxy-5-nitrophenyl)-N-phenylmethanesulfonamide?
The InChIKey is PVFJIAOKFZRCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5S/c16-13-7-6-12(15(17)18)8-10(13)9-21(19,20)14-11-4-2-1-3-5-11/h1-8,14,16H,9H2.
What are the key properties of 1-(2-hydroxy-5-nitrophenyl)-N-phenylmethanesulfonamide?
1-(2-hydroxy-5-nitrophenyl)-N-phenylmethanesulfonamide 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 1-(2-hydroxy-5-nitrophenyl)-N-phenylmethanesulfonamide is sourced from PubChem (CID 57323610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).