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

C12H10N2O5S — CID 5225749

IUPACN-(2-hydroxy-4-nitrophenyl)benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C12H10N2O5S/c15-12-8-9(14(16)17)6-7-11(12)13-20(18,19)10-4-2-1-3-5-10/h1-8,13,15H
InChIKeyNJLNHUHLXNVVBG-UHFFFAOYSA-N
MW294.29 g/mol
LogP2.10
Rot. Bonds4

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

N-(2-hydroxy-4-nitrophenyl)benzenesulfonamide (PubChem CID 5225749) has the molecular formula C12H10N2O5S and a molecular weight of 294.29 g/mol. Its IUPAC name is N-(2-hydroxy-4-nitrophenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-nitrophenyl)benzenesulfonamide
PubChem CID5225749
Molecular FormulaC12H10N2O5S
Molecular Weight294.29 g/mol
Exact Mass294.03
IUPAC NameN-(2-hydroxy-4-nitrophenyl)benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C12H10N2O5S/c15-12-8-9(14(16)17)6-7-11(12)13-20(18,19)10-4-2-1-3-5-10/h1-8,13,15H
InChIKeyNJLNHUHLXNVVBG-UHFFFAOYSA-N
XLogP2.10
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 52.10
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

2-Amino-5-Nitrophenol
CID 4984721
N-(2-hydroxyphenyl)-3-nitrobenzenesulfonamide
CID 2835148
N-(3-Hydroxyphenyl)benzenesulphonamide
CID 97359
4'-Amino-2'-hydroxybenzenesulfonanilide
CID 3608856
N-(4-nitro-2-phenoxyphenyl)benzenesulfonamide
CID 10451788
2'-Hydroxy-4'-nitro-P-toluenesulfonanilide
CID 3559326
N-(4-Hydroxyphenyl)-4-nitrobenzenesulfinamide
CID 720767
N-(2-hydroxyphenyl)benzenesulfonamide
CID 231991
4-amino-N-(2-hydroxyphenyl)benzenesulfonamide
CID 313869
4-(Sec-butyl)-2'-hydroxy-4'-nitrobenzenesulfonanilide
CID 3613940
2-Hydroxy-4-nitrobenzene-1-sulfonamide
CID 59020475
4-fluoro-N-(2-methoxy-4-nitrophenyl)benzenesulfonamide
CID 2866046

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-nitrophenyl)benzenesulfonamide?
The IUPAC name of N-(2-hydroxy-4-nitrophenyl)benzenesulfonamide (CID 5225749) is N-(2-hydroxy-4-nitrophenyl)benzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-4-nitrophenyl)benzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-4-nitrophenyl)benzenesulfonamide is O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2)c(O)c1.
What is the InChIKey of N-(2-hydroxy-4-nitrophenyl)benzenesulfonamide?
The InChIKey is NJLNHUHLXNVVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O5S/c15-12-8-9(14(16)17)6-7-11(12)13-20(18,19)10-4-2-1-3-5-10/h1-8,13,15H.
What are the key properties of N-(2-hydroxy-4-nitrophenyl)benzenesulfonamide?
N-(2-hydroxy-4-nitrophenyl)benzenesulfonamide has a molecular weight of 294.29 g/mol, XLogP of 2.10, 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)benzenesulfonamide is sourced from PubChem (CID 5225749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).