2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)benzamide

C16H11F5N2O3S — CID 11640067

IUPAC2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)benzamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCC2NC(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H11F5N2O3S/c17-11-10(12(18)14(20)15(21)13(11)19)16(24)23-9-4-1-6-5-7(27(22,25)26)2-3-8(6)9/h2-3,5,9H,1,4H2,(H,23,24)(H2,22,25,26)
InChIKeyGSDOCCQCQXIOCL-UHFFFAOYSA-N
MW406.33 g/mol
LogP2.45
Rot. Bonds3

About 2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)benzamide

2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)benzamide (PubChem CID 11640067) has the molecular formula C16H11F5N2O3S and a molecular weight of 406.33 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)benzamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)benzamide
PubChem CID11640067
Molecular FormulaC16H11F5N2O3S
Molecular Weight406.33 g/mol
Exact Mass406.04
IUPAC Name2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)benzamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCC2NC(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H11F5N2O3S/c17-11-10(12(18)14(20)15(21)13(11)19)16(24)23-9-4-1-6-5-7(27(22,25)26)2-3-8(6)9/h2-3,5,9H,1,4H2,(H,23,24)(H2,22,25,26)
InChIKeyGSDOCCQCQXIOCL-UHFFFAOYSA-N
XLogP2.45
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-Diflouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 4288
N-(2-Flouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 4290
N-(2,3,4,5,6-Pentaflouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 445770
4-(Aminosulfonyl)-N-[(2,3,4-Trifluorophenyl)Methyl]-Benzamide
CID 446240
N-(2,3-Difluoro-benzyl)-4-sulfamoyl-benzamide
CID 1700
4-(Aminosulfonyl)-N-((4-Fluorophenyl)Methyl)-Benzamide
CID 446237
1-Acetamido-5-sulfonamidoindane
CID 11680415
4-(Aminosulfonyl)-N-[(2,4-Difluorophenyl)Methyl]-Benzamide
CID 446238
4-(Aminosulfonyl)-N-[(2,5-Difluorophenyl)Methyl]-Benzamide
CID 446239
4-(Aminosulfonyl)-N-((2,4,6-Trifluorophenyl)Methyl)-Benzamide
CID 446241
4-(Aminosulfonyl)-N-((3,4,5-Trifluorophenyl)Methyl)-Benzamide
CID 446242
2-Cyclohexylamido-5-sulfonamidoindane
CID 11623958

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)benzamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)benzamide (CID 11640067) is 2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)benzamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)benzamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)benzamide is NS(=O)(=O)c1ccc2c(c1)CCC2NC(=O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)benzamide?
The InChIKey is GSDOCCQCQXIOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F5N2O3S/c17-11-10(12(18)14(20)15(21)13(11)19)16(24)23-9-4-1-6-5-7(27(22,25)26)2-3-8(6)9/h2-3,5,9H,1,4H2,(H,23,24)(H2,22,25,26).
What are the key properties of 2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)benzamide?
2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)benzamide has a molecular weight of 406.33 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)benzamide is sourced from PubChem (CID 11640067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).