N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzenesulfonamide

C14H10N4O5S — CID 3718763

IUPACN-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc2[nH]c(O)c(/N=N/S(=O)(=O)c3ccccc3)c2c1
InChIInChI=1S/C14H10N4O5S/c19-14-13(11-8-9(18(20)21)6-7-12(11)15-14)16-17-24(22,23)10-4-2-1-3-5-10/h1-8,15,19H/b17-16+
InChIKeyAMFMNUBAQUJSBI-WUKNDPDISA-N
MW346.32 g/mol
LogP3.25
Rot. Bonds4

About N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzenesulfonamide

N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzenesulfonamide (PubChem CID 3718763) has the molecular formula C14H10N4O5S and a molecular weight of 346.32 g/mol. Its IUPAC name is N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzenesulfonamide
PubChem CID3718763
Molecular FormulaC14H10N4O5S
Molecular Weight346.32 g/mol
Exact Mass346.04
IUPAC NameN-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc2[nH]c(O)c(/N=N/S(=O)(=O)c3ccccc3)c2c1
InChIInChI=1S/C14H10N4O5S/c19-14-13(11-8-9(18(20)21)6-7-12(11)15-14)16-17-24(22,23)10-4-2-1-3-5-10/h1-8,15,19H/b17-16+
InChIKeyAMFMNUBAQUJSBI-WUKNDPDISA-N
XLogP3.25
TPSA138.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.32
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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-hydroxy-5-nitro-1H-indol-3-yl)imino]benzenesulfonamide?
The IUPAC name of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzenesulfonamide (CID 3718763) is N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzenesulfonamide.
What is the SMILES notation for N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzenesulfonamide?
The canonical SMILES for N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzenesulfonamide is O=[N+]([O-])c1ccc2[nH]c(O)c(/N=N/S(=O)(=O)c3ccccc3)c2c1.
What is the InChIKey of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzenesulfonamide?
The InChIKey is AMFMNUBAQUJSBI-WUKNDPDISA-N. The full InChI is InChI=1S/C14H10N4O5S/c19-14-13(11-8-9(18(20)21)6-7-12(11)15-14)16-17-24(22,23)10-4-2-1-3-5-10/h1-8,15,19H/b17-16+.
What are the key properties of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzenesulfonamide?
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzenesulfonamide has a molecular weight of 346.32 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzenesulfonamide is sourced from PubChem (CID 3718763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).