N-(2-hydroxyphenyl)-3-nitrobenzenesulfonamide

C12H10N2O5S — CID 2835148

IUPACN-(2-hydroxyphenyl)-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccc2O)c1
InChIInChI=1S/C12H10N2O5S/c15-12-7-2-1-6-11(12)13-20(18,19)10-5-3-4-9(8-10)14(16)17/h1-8,13,15H
InChIKeyFEFUMBFOUOVWMC-UHFFFAOYSA-N
MW294.29 g/mol
LogP2.10
Rot. Bonds4

About N-(2-hydroxyphenyl)-3-nitrobenzenesulfonamide

N-(2-hydroxyphenyl)-3-nitrobenzenesulfonamide (PubChem CID 2835148) has the molecular formula C12H10N2O5S and a molecular weight of 294.29 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-3-nitrobenzenesulfonamide
PubChem CID2835148
Molecular FormulaC12H10N2O5S
Molecular Weight294.29 g/mol
Exact Mass294.03
IUPAC NameN-(2-hydroxyphenyl)-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccc2O)c1
InChIInChI=1S/C12H10N2O5S/c15-12-7-2-1-6-11(12)13-20(18,19)10-5-3-4-9(8-10)14(16)17/h1-8,13,15H
InChIKeyFEFUMBFOUOVWMC-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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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-3-nitrobenzenesulfonamide?
The IUPAC name of N-(2-hydroxyphenyl)-3-nitrobenzenesulfonamide (CID 2835148) is N-(2-hydroxyphenyl)-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-3-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-hydroxyphenyl)-3-nitrobenzenesulfonamide is O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccc2O)c1.
What is the InChIKey of N-(2-hydroxyphenyl)-3-nitrobenzenesulfonamide?
The InChIKey is FEFUMBFOUOVWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O5S/c15-12-7-2-1-6-11(12)13-20(18,19)10-5-3-4-9(8-10)14(16)17/h1-8,13,15H.
What are the key properties of N-(2-hydroxyphenyl)-3-nitrobenzenesulfonamide?
N-(2-hydroxyphenyl)-3-nitrobenzenesulfonamide 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-hydroxyphenyl)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 2835148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).