N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-sulfamoyl-4-(trifluoromethyl)pyridine-3-carboxamide

C19H18F3N3O3S — CID 175748530

IUPACN-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-sulfamoyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESNS(=O)(=O)c1nccc(C(F)(F)F)c1C(=O)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C19H18F3N3O3S/c20-19(21,22)14-7-8-24-18(29(23,27)28)15(14)17(26)25-16-12-5-1-3-10(12)9-11-4-2-6-13(11)16/h7-9H,1-6H2,(H,25,26)(H2,23,27,28)
InChIKeyJFFLUPHMEYACIJ-UHFFFAOYSA-N
MW425.43 g/mol
LogP2.98
Rot. Bonds3

About N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-sulfamoyl-4-(trifluoromethyl)pyridine-3-carboxamide

N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-sulfamoyl-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 175748530) has the molecular formula C19H18F3N3O3S and a molecular weight of 425.43 g/mol. Its IUPAC name is N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-sulfamoyl-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-sulfamoyl-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID175748530
Molecular FormulaC19H18F3N3O3S
Molecular Weight425.43 g/mol
Exact Mass425.10
IUPAC NameN-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-sulfamoyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESNS(=O)(=O)c1nccc(C(F)(F)F)c1C(=O)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C19H18F3N3O3S/c20-19(21,22)14-7-8-24-18(29(23,27)28)15(14)17(26)25-16-12-5-1-3-10(12)9-11-4-2-6-13(11)16/h7-9H,1-6H2,(H,25,26)(H2,23,27,28)
InChIKeyJFFLUPHMEYACIJ-UHFFFAOYSA-N
XLogP2.98
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-sulfamoyl-4-(trifluoromethyl)pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

CID 175753214
CID 175753214
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-sulfamoylprop-2-enamide
CID 154997378
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-methylpyrimidin-4-yl)sulfonylurea
CID 137403435
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(4-methylpyrimidin-2-yl)sulfonylacetamide
CID 160586912
2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-methylpyrimidine-4-carboxamide
CID 137403439
1-(amino-methyl-oxo-λ6-sulfanylidene)-3-(2-tricyclo[6.3.0.03,6]undeca-1,3(6),7-trienyl)urea
CID 146603514
1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 137453321
3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-methylpyridazine-4-carboxamide
CID 137404021
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]sulfonylurea
CID 122480744
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[4-(2-oxopropyl)pyrimidin-2-yl]sulfonylurea
CID 157113726
6-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)pyridazine-3-carboxamide
CID 137403461
1-(5-aminopyrazin-2-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 155076531

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-sulfamoyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-sulfamoyl-4-(trifluoromethyl)pyridine-3-carboxamide (CID 175748530) is N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-sulfamoyl-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-sulfamoyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-sulfamoyl-4-(trifluoromethyl)pyridine-3-carboxamide is NS(=O)(=O)c1nccc(C(F)(F)F)c1C(=O)Nc1c2c(cc3c1CCC3)CCC2.
What is the InChIKey of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-sulfamoyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is JFFLUPHMEYACIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3S/c20-19(21,22)14-7-8-24-18(29(23,27)28)15(14)17(26)25-16-12-5-1-3-10(12)9-11-4-2-6-13(11)16/h7-9H,1-6H2,(H,25,26)(H2,23,27,28).
What are the key properties of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-sulfamoyl-4-(trifluoromethyl)pyridine-3-carboxamide?
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-sulfamoyl-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 425.43 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-sulfamoyl-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 175748530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).