N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide

C19H16N4O3S2 — CID 67465029

IUPACN-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
SMILESNS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)Cc4cccs4)cc23)c1
InChIInChI=1S/C19H16N4O3S2/c20-28(25,26)15-5-1-3-12(9-15)19-16-10-13(6-7-17(16)22-23-19)21-18(24)11-14-4-2-8-27-14/h1-10H,11H2,(H,21,24)(H,22,23)(H2,20,25,26)
InChIKeyWWSXGQDDJXEGQJ-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.12
Rot. Bonds5

About N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide

N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide (PubChem CID 67465029) has the molecular formula C19H16N4O3S2 and a molecular weight of 412.50 g/mol. Its IUPAC name is N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
PubChem CID67465029
Molecular FormulaC19H16N4O3S2
Molecular Weight412.50 g/mol
Exact Mass412.07
IUPAC NameN-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
SMILESNS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)Cc4cccs4)cc23)c1
InChIInChI=1S/C19H16N4O3S2/c20-28(25,26)15-5-1-3-12(9-15)19-16-10-13(6-7-17(16)22-23-19)21-18(24)11-14-4-2-8-27-14/h1-10H,11H2,(H,21,24)(H,22,23)(H2,20,25,26)
InChIKeyWWSXGQDDJXEGQJ-UHFFFAOYSA-N
XLogP3.12
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide (CID 67465029) is N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide is NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)Cc4cccs4)cc23)c1.
What is the InChIKey of N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?
The InChIKey is WWSXGQDDJXEGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S2/c20-28(25,26)15-5-1-3-12(9-15)19-16-10-13(6-7-17(16)22-23-19)21-18(24)11-14-4-2-8-27-14/h1-10H,11H2,(H,21,24)(H,22,23)(H2,20,25,26).
What are the key properties of N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?
N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide has a molecular weight of 412.50 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 67465029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).