2-[3-(methanesulfonamido)anilino]-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)acetamide

C17H16N6O3S2 — CID 24769362

IUPAC2-[3-(methanesulfonamido)anilino]-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)acetamide
SMILESCS(=O)(=O)Nc1cccc(NCC(=O)Nc2nc3ccc4[nH]ncc4c3s2)c1
InChIInChI=1S/C17H16N6O3S2/c1-28(25,26)23-11-4-2-3-10(7-11)18-9-15(24)21-17-20-14-6-5-13-12(8-19-22-13)16(14)27-17/h2-8,18,23H,9H2,1H3,(H,19,22)(H,20,21,24)
InChIKeyOYFMCTJAJOQUMU-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.59
Rot. Bonds6

About 2-[3-(methanesulfonamido)anilino]-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)acetamide

2-[3-(methanesulfonamido)anilino]-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)acetamide (PubChem CID 24769362) has the molecular formula C17H16N6O3S2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 2-[3-(methanesulfonamido)anilino]-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(methanesulfonamido)anilino]-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)acetamide
PubChem CID24769362
Molecular FormulaC17H16N6O3S2
Molecular Weight416.49 g/mol
Exact Mass416.07
IUPAC Name2-[3-(methanesulfonamido)anilino]-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)acetamide
SMILESCS(=O)(=O)Nc1cccc(NCC(=O)Nc2nc3ccc4[nH]ncc4c3s2)c1
InChIInChI=1S/C17H16N6O3S2/c1-28(25,26)23-11-4-2-3-10(7-11)18-9-15(24)21-17-20-14-6-5-13-12(8-19-22-13)16(14)27-17/h2-8,18,23H,9H2,1H3,(H,19,22)(H,20,21,24)
InChIKeyOYFMCTJAJOQUMU-UHFFFAOYSA-N
XLogP2.59
TPSA128.87 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methanesulfonamido)anilino]-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)acetamide?
The IUPAC name of 2-[3-(methanesulfonamido)anilino]-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)acetamide (CID 24769362) is 2-[3-(methanesulfonamido)anilino]-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-(methanesulfonamido)anilino]-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-(methanesulfonamido)anilino]-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)acetamide is CS(=O)(=O)Nc1cccc(NCC(=O)Nc2nc3ccc4[nH]ncc4c3s2)c1.
What is the InChIKey of 2-[3-(methanesulfonamido)anilino]-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)acetamide?
The InChIKey is OYFMCTJAJOQUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O3S2/c1-28(25,26)23-11-4-2-3-10(7-11)18-9-15(24)21-17-20-14-6-5-13-12(8-19-22-13)16(14)27-17/h2-8,18,23H,9H2,1H3,(H,19,22)(H,20,21,24).
What are the key properties of 2-[3-(methanesulfonamido)anilino]-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)acetamide?
2-[3-(methanesulfonamido)anilino]-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)acetamide has a molecular weight of 416.49 g/mol, XLogP of 2.59, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methanesulfonamido)anilino]-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)acetamide is sourced from PubChem (CID 24769362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).