2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]-N-[(4-sulfamoylphenyl)methyl]benzamide

C28H24N6O3S — CID 134141334

IUPAC2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccccc2Nc2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)cc1
InChIInChI=1S/C28H24N6O3S/c29-38(36,37)22-12-8-19(9-13-22)18-31-28(35)24-6-1-2-7-25(24)32-21-10-14-23-26(33-34-27(23)17-21)15-11-20-5-3-4-16-30-20/h1-17,32H,18H2,(H,31,35)(H,33,34)(H2,29,36,37)/b15-11+
InChIKeyXDMSXAGUGXWEQU-RVDMUPIBSA-N
MW524.61 g/mol
LogP4.45
Rot. Bonds8

About 2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]-N-[(4-sulfamoylphenyl)methyl]benzamide

2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]-N-[(4-sulfamoylphenyl)methyl]benzamide (PubChem CID 134141334) has the molecular formula C28H24N6O3S and a molecular weight of 524.61 g/mol. Its IUPAC name is 2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]-N-[(4-sulfamoylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]-N-[(4-sulfamoylphenyl)methyl]benzamide
PubChem CID134141334
Molecular FormulaC28H24N6O3S
Molecular Weight524.61 g/mol
Exact Mass524.16
IUPAC Name2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccccc2Nc2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)cc1
InChIInChI=1S/C28H24N6O3S/c29-38(36,37)22-12-8-19(9-13-22)18-31-28(35)24-6-1-2-7-25(24)32-21-10-14-23-26(33-34-27(23)17-21)15-11-20-5-3-4-16-30-20/h1-17,32H,18H2,(H,31,35)(H,33,34)(H2,29,36,37)/b15-11+
InChIKeyXDMSXAGUGXWEQU-RVDMUPIBSA-N
XLogP4.45
TPSA142.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.61
LogP ≤ 54.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]-N-[(4-sulfamoylphenyl)methyl]benzamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]-N-[(4-sulfamoylphenyl)methyl]benzamide?
The IUPAC name of 2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]-N-[(4-sulfamoylphenyl)methyl]benzamide (CID 134141334) is 2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]-N-[(4-sulfamoylphenyl)methyl]benzamide.
What is the SMILES notation for 2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]-N-[(4-sulfamoylphenyl)methyl]benzamide?
The canonical SMILES for 2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]-N-[(4-sulfamoylphenyl)methyl]benzamide is NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2Nc2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)cc1.
What is the InChIKey of 2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]-N-[(4-sulfamoylphenyl)methyl]benzamide?
The InChIKey is XDMSXAGUGXWEQU-RVDMUPIBSA-N. The full InChI is InChI=1S/C28H24N6O3S/c29-38(36,37)22-12-8-19(9-13-22)18-31-28(35)24-6-1-2-7-25(24)32-21-10-14-23-26(33-34-27(23)17-21)15-11-20-5-3-4-16-30-20/h1-17,32H,18H2,(H,31,35)(H,33,34)(H2,29,36,37)/b15-11+.
What are the key properties of 2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]-N-[(4-sulfamoylphenyl)methyl]benzamide?
2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]-N-[(4-sulfamoylphenyl)methyl]benzamide has a molecular weight of 524.61 g/mol, XLogP of 4.45, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]-N-[(4-sulfamoylphenyl)methyl]benzamide is sourced from PubChem (CID 134141334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).