N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(thiophen-2-ylsulfonylamino)benzamide

C19H14N4O4S2 — CID 2348381

IUPACN-[(2-hydroxy-1H-indol-3-yl)imino]-2-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccccc12)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C19H14N4O4S2/c24-18(22-21-17-12-6-1-3-8-14(12)20-19(17)25)13-7-2-4-9-15(13)23-29(26,27)16-10-5-11-28-16/h1-11,20,23,25H/b22-21+
InChIKeyBFAOALDGPJLFLQ-QURGRASLSA-N
MW426.48 g/mol
LogP4.66
Rot. Bonds5

About N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(thiophen-2-ylsulfonylamino)benzamide

N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 2348381) has the molecular formula C19H14N4O4S2 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1H-indol-3-yl)imino]-2-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID2348381
Molecular FormulaC19H14N4O4S2
Molecular Weight426.48 g/mol
Exact Mass426.05
IUPAC NameN-[(2-hydroxy-1H-indol-3-yl)imino]-2-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccccc12)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C19H14N4O4S2/c24-18(22-21-17-12-6-1-3-8-14(12)20-19(17)25)13-7-2-4-9-15(13)23-29(26,27)16-10-5-11-28-16/h1-11,20,23,25H/b22-21+
InChIKeyBFAOALDGPJLFLQ-QURGRASLSA-N
XLogP4.66
TPSA123.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(thiophen-2-ylsulfonylamino)benzamide (CID 2348381) is N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(thiophen-2-ylsulfonylamino)benzamide is O=C(/N=N/c1c(O)[nH]c2ccccc12)c1ccccc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is BFAOALDGPJLFLQ-QURGRASLSA-N. The full InChI is InChI=1S/C19H14N4O4S2/c24-18(22-21-17-12-6-1-3-8-14(12)20-19(17)25)13-7-2-4-9-15(13)23-29(26,27)16-10-5-11-28-16/h1-11,20,23,25H/b22-21+.
What are the key properties of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(thiophen-2-ylsulfonylamino)benzamide?
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 426.48 g/mol, XLogP of 4.66, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 2348381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).