3-fluoro-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylsulfamoyl)benzamide

C19H19FN2O3S — CID 155920011

IUPAC3-fluoro-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylsulfamoyl)benzamide
SMILESO=C(NS(=O)(=O)Nc1c2c(cc3c1CCC3)CCC2)c1cccc(F)c1
InChIInChI=1S/C19H19FN2O3S/c20-15-7-1-6-14(11-15)19(23)22-26(24,25)21-18-16-8-2-4-12(16)10-13-5-3-9-17(13)18/h1,6-7,10-11,21H,2-5,8-9H2,(H,22,23)
InChIKeyKKBDMFZEDUJTMS-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.89
Rot. Bonds4

About 3-fluoro-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylsulfamoyl)benzamide

3-fluoro-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylsulfamoyl)benzamide (PubChem CID 155920011) has the molecular formula C19H19FN2O3S and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-fluoro-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylsulfamoyl)benzamide
PubChem CID155920011
Molecular FormulaC19H19FN2O3S
Molecular Weight374.44 g/mol
Exact Mass374.11
IUPAC Name3-fluoro-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylsulfamoyl)benzamide
SMILESO=C(NS(=O)(=O)Nc1c2c(cc3c1CCC3)CCC2)c1cccc(F)c1
InChIInChI=1S/C19H19FN2O3S/c20-15-7-1-6-14(11-15)19(23)22-26(24,25)21-18-16-8-2-4-12(16)10-13-5-3-9-17(13)18/h1,6-7,10-11,21H,2-5,8-9H2,(H,22,23)
InChIKeyKKBDMFZEDUJTMS-UHFFFAOYSA-N
XLogP2.89
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylsulfamoyl)benzamide?
The IUPAC name of 3-fluoro-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylsulfamoyl)benzamide (CID 155920011) is 3-fluoro-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylsulfamoyl)benzamide.
What is the SMILES notation for 3-fluoro-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylsulfamoyl)benzamide?
The canonical SMILES for 3-fluoro-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylsulfamoyl)benzamide is O=C(NS(=O)(=O)Nc1c2c(cc3c1CCC3)CCC2)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylsulfamoyl)benzamide?
The InChIKey is KKBDMFZEDUJTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3S/c20-15-7-1-6-14(11-15)19(23)22-26(24,25)21-18-16-8-2-4-12(16)10-13-5-3-9-17(13)18/h1,6-7,10-11,21H,2-5,8-9H2,(H,22,23).
What are the key properties of 3-fluoro-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylsulfamoyl)benzamide?
3-fluoro-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylsulfamoyl)benzamide has a molecular weight of 374.44 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylsulfamoyl)benzamide is sourced from PubChem (CID 155920011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).