2,5-difluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]benzamide

C19H15F2N3O3S2 — CID 11999346

IUPAC2,5-difluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]benzamide
SMILESO=C(NC1Cc2ccc(S(=O)(=O)Nc3nccs3)cc2C1)c1cc(F)ccc1F
InChIInChI=1S/C19H15F2N3O3S2/c20-13-2-4-17(21)16(10-13)18(25)23-14-7-11-1-3-15(9-12(11)8-14)29(26,27)24-19-22-5-6-28-19/h1-6,9-10,14H,7-8H2,(H,22,24)(H,23,25)
InChIKeyXEWZZYPSTILFMB-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.12
Rot. Bonds5

About 2,5-difluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]benzamide

2,5-difluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]benzamide (PubChem CID 11999346) has the molecular formula C19H15F2N3O3S2 and a molecular weight of 435.48 g/mol. Its IUPAC name is 2,5-difluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]benzamide
PubChem CID11999346
Molecular FormulaC19H15F2N3O3S2
Molecular Weight435.48 g/mol
Exact Mass435.05
IUPAC Name2,5-difluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]benzamide
SMILESO=C(NC1Cc2ccc(S(=O)(=O)Nc3nccs3)cc2C1)c1cc(F)ccc1F
InChIInChI=1S/C19H15F2N3O3S2/c20-13-2-4-17(21)16(10-13)18(25)23-14-7-11-1-3-15(9-12(11)8-14)29(26,27)24-19-22-5-6-28-19/h1-6,9-10,14H,7-8H2,(H,22,24)(H,23,25)
InChIKeyXEWZZYPSTILFMB-UHFFFAOYSA-N
XLogP3.12
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]benzamide?
The IUPAC name of 2,5-difluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]benzamide (CID 11999346) is 2,5-difluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]benzamide.
What is the SMILES notation for 2,5-difluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]benzamide?
The canonical SMILES for 2,5-difluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]benzamide is O=C(NC1Cc2ccc(S(=O)(=O)Nc3nccs3)cc2C1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]benzamide?
The InChIKey is XEWZZYPSTILFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O3S2/c20-13-2-4-17(21)16(10-13)18(25)23-14-7-11-1-3-15(9-12(11)8-14)29(26,27)24-19-22-5-6-28-19/h1-6,9-10,14H,7-8H2,(H,22,24)(H,23,25).
What are the key properties of 2,5-difluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]benzamide?
2,5-difluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]benzamide has a molecular weight of 435.48 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]benzamide is sourced from PubChem (CID 11999346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).