N-(4-hydroxyphenyl)-4-nitrobenzenesulfinamide

C12H10N2O4S — CID 720767

IUPACN-(4-hydroxyphenyl)-4-nitrobenzenesulfinamide
SMILESO=[N+]([O-])c1ccc(S(=O)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C12H10N2O4S/c15-11-5-1-9(2-6-11)13-19(18)12-7-3-10(4-8-12)14(16)17/h1-8,13,15H
InChIKeyBROPCYYYAITPIA-UHFFFAOYSA-N
MW278.29 g/mol
LogP2.44
Rot. Bonds4

About N-(4-hydroxyphenyl)-4-nitrobenzenesulfinamide

N-(4-hydroxyphenyl)-4-nitrobenzenesulfinamide (PubChem CID 720767) has the molecular formula C12H10N2O4S and a molecular weight of 278.29 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-4-nitrobenzenesulfinamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-4-nitrobenzenesulfinamide
PubChem CID720767
Molecular FormulaC12H10N2O4S
Molecular Weight278.29 g/mol
Exact Mass278.04
IUPAC NameN-(4-hydroxyphenyl)-4-nitrobenzenesulfinamide
SMILESO=[N+]([O-])c1ccc(S(=O)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C12H10N2O4S/c15-11-5-1-9(2-6-11)13-19(18)12-7-3-10(4-8-12)14(16)17/h1-8,13,15H
InChIKeyBROPCYYYAITPIA-UHFFFAOYSA-N
XLogP2.44
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-4-nitrobenzenesulfinamide?
The IUPAC name of N-(4-hydroxyphenyl)-4-nitrobenzenesulfinamide (CID 720767) is N-(4-hydroxyphenyl)-4-nitrobenzenesulfinamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-4-nitrobenzenesulfinamide?
The canonical SMILES for N-(4-hydroxyphenyl)-4-nitrobenzenesulfinamide is O=[N+]([O-])c1ccc(S(=O)Nc2ccc(O)cc2)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-4-nitrobenzenesulfinamide?
The InChIKey is BROPCYYYAITPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4S/c15-11-5-1-9(2-6-11)13-19(18)12-7-3-10(4-8-12)14(16)17/h1-8,13,15H.
What are the key properties of N-(4-hydroxyphenyl)-4-nitrobenzenesulfinamide?
N-(4-hydroxyphenyl)-4-nitrobenzenesulfinamide has a molecular weight of 278.29 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-4-nitrobenzenesulfinamide is sourced from PubChem (CID 720767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).