N-[(2-hydroxy-1H-indol-3-yl)imino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide

C23H17N5O6S4 — CID 2423032

IUPACN-[(2-hydroxy-1H-indol-3-yl)imino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccccc12)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C23H17N5O6S4/c29-22(26-25-21-17-5-1-2-6-18(17)24-23(21)30)14-11-15(27-37(31,32)19-7-3-9-35-19)13-16(12-14)28-38(33,34)20-8-4-10-36-20/h1-13,24,27-28,30H/b26-25+
InChIKeyJAVGAISDSSZBDE-OCEACIFDSA-N
MW587.69 g/mol
LogP5.52
Rot. Bonds8

About N-[(2-hydroxy-1H-indol-3-yl)imino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide

N-[(2-hydroxy-1H-indol-3-yl)imino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 2423032) has the molecular formula C23H17N5O6S4 and a molecular weight of 587.69 g/mol. Its IUPAC name is N-[(2-hydroxy-1H-indol-3-yl)imino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1H-indol-3-yl)imino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
PubChem CID2423032
Molecular FormulaC23H17N5O6S4
Molecular Weight587.69 g/mol
Exact Mass587.01
IUPAC NameN-[(2-hydroxy-1H-indol-3-yl)imino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccccc12)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C23H17N5O6S4/c29-22(26-25-21-17-5-1-2-6-18(17)24-23(21)30)14-11-15(27-37(31,32)19-7-3-9-35-19)13-16(12-14)28-38(33,34)20-8-4-10-36-20/h1-13,24,27-28,30H/b26-25+
InChIKeyJAVGAISDSSZBDE-OCEACIFDSA-N
XLogP5.52
TPSA170.15 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.69
LogP ≤ 55.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide (CID 2423032) is N-[(2-hydroxy-1H-indol-3-yl)imino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[(2-hydroxy-1H-indol-3-yl)imino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[(2-hydroxy-1H-indol-3-yl)imino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide is O=C(/N=N/c1c(O)[nH]c2ccccc12)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[(2-hydroxy-1H-indol-3-yl)imino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is JAVGAISDSSZBDE-OCEACIFDSA-N. The full InChI is InChI=1S/C23H17N5O6S4/c29-22(26-25-21-17-5-1-2-6-18(17)24-23(21)30)14-11-15(27-37(31,32)19-7-3-9-35-19)13-16(12-14)28-38(33,34)20-8-4-10-36-20/h1-13,24,27-28,30H/b26-25+.
What are the key properties of N-[(2-hydroxy-1H-indol-3-yl)imino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide?
N-[(2-hydroxy-1H-indol-3-yl)imino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 587.69 g/mol, XLogP of 5.52, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-1H-indol-3-yl)imino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 2423032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).