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

C29H26N6O3S — CID 134155958

IUPAC2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2Nc2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)cc1
InChIInChI=1S/C29H26N6O3S/c30-39(37,38)23-12-8-20(9-13-23)16-18-32-29(36)25-6-1-2-7-26(25)33-22-10-14-24-27(34-35-28(24)19-22)15-11-21-5-3-4-17-31-21/h1-15,17,19,33H,16,18H2,(H,32,36)(H,34,35)(H2,30,37,38)/b15-11+
InChIKeyJQFKJXGTFRIBOW-RVDMUPIBSA-N
MW538.63 g/mol
LogP4.49
Rot. Bonds9

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

2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 134155958) has the molecular formula C29H26N6O3S and a molecular weight of 538.63 g/mol. Its IUPAC name is 2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID134155958
Molecular FormulaC29H26N6O3S
Molecular Weight538.63 g/mol
Exact Mass538.18
IUPAC Name2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2Nc2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)cc1
InChIInChI=1S/C29H26N6O3S/c30-39(37,38)23-12-8-20(9-13-23)16-18-32-29(36)25-6-1-2-7-26(25)33-22-10-14-24-27(34-35-28(24)19-22)15-11-21-5-3-4-17-31-21/h1-15,17,19,33H,16,18H2,(H,32,36)(H,34,35)(H2,30,37,38)/b15-11+
InChIKeyJQFKJXGTFRIBOW-RVDMUPIBSA-N
XLogP4.49
TPSA142.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.63
LogP ≤ 54.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

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Related Compounds

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Niraparib tosylate monohydrate
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N-[(3-fluorophenyl)methyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
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N-cyclopropyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
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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-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (CID 134155958) is 2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is NS(=O)(=O)c1ccc(CCNC(=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-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is JQFKJXGTFRIBOW-RVDMUPIBSA-N. The full InChI is InChI=1S/C29H26N6O3S/c30-39(37,38)23-12-8-20(9-13-23)16-18-32-29(36)25-6-1-2-7-26(25)33-22-10-14-24-27(34-35-28(24)19-22)15-11-21-5-3-4-17-31-21/h1-15,17,19,33H,16,18H2,(H,32,36)(H,34,35)(H2,30,37,38)/b15-11+.
What are the key properties of 2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 538.63 g/mol, XLogP of 4.49, 9 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-[2-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 134155958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).