potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]sulfonylazanide

C19H21F3KN3O4S — CID 155658618

IUPACpotassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]sulfonylazanide
SMILESO=C([N-]S(=O)(=O)C1CCN(C(=O)C(F)(F)F)C1)Nc1c2c(cc3c1CCC3)CCC2.[K+]
InChIInChI=1S/C19H22F3N3O4S.K/c20-19(21,22)17(26)25-8-7-13(10-25)30(28,29)24-18(27)23-16-14-5-1-3-11(14)9-12-4-2-6-15(12)16;/h9,13H,1-8,10H2,(H2,23,24,27);/q;+1/p-1
InChIKeyXENQVGUMYGJUCI-UHFFFAOYSA-M
MW483.55 g/mol
LogP0.07
Rot. Bonds3

About potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]sulfonylazanide

potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]sulfonylazanide (PubChem CID 155658618) has the molecular formula C19H21F3KN3O4S and a molecular weight of 483.55 g/mol. Its IUPAC name is potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]sulfonylazanide.

Molecular Properties

Compound Namepotassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]sulfonylazanide
PubChem CID155658618
Molecular FormulaC19H21F3KN3O4S
Molecular Weight483.55 g/mol
Exact Mass483.08
IUPAC Namepotassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]sulfonylazanide
SMILESO=C([N-]S(=O)(=O)C1CCN(C(=O)C(F)(F)F)C1)Nc1c2c(cc3c1CCC3)CCC2.[K+]
InChIInChI=1S/C19H22F3N3O4S.K/c20-19(21,22)17(26)25-8-7-13(10-25)30(28,29)24-18(27)23-16-14-5-1-3-11(14)9-12-4-2-6-15(12)16;/h9,13H,1-8,10H2,(H2,23,24,27);/q;+1/p-1
InChIKeyXENQVGUMYGJUCI-UHFFFAOYSA-M
XLogP0.07
TPSA97.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

potassium (1-acetylpiperidin-3-yl)sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide
CID 155658593
potassium (1-cyclopropylpyrrolidin-3-yl)sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide
CID 155658630
CID 175724131
CID 175724131
potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(1-methylazetidin-3-yl)piperidin-4-yl]sulfonylazanide
CID 155658633
potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-(1-propan-2-ylazetidin-3-yl)sulfonylazanide
CID 155658508
potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(4-hydroxybutyl)azetidin-3-yl]sulfonylazanide
CID 155658635
potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(2-methylpropyl)azetidin-3-yl]sulfonylazanide
CID 155658526
potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(3-methylcyclobutyl)azetidin-3-yl]sulfonylazanide
CID 155658566
potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-(1-pentan-3-ylazetidin-3-yl)sulfonylazanide
CID 155658501
potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(oxetan-3-ylmethyl)azetidin-3-yl]sulfonylazanide
CID 155658585
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-4-sulfamoylpiperidine-1-carboxamide
CID 166542156
potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-[(1-methyl-6-oxo-3-pyridinyl)methyl]azetidin-3-yl]sulfonylazanide
CID 155658516

Frequently Asked Questions

What is the IUPAC name of potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]sulfonylazanide?
The IUPAC name of potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]sulfonylazanide (CID 155658618) is potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]sulfonylazanide.
What is the SMILES notation for potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]sulfonylazanide?
The canonical SMILES for potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]sulfonylazanide is O=C([N-]S(=O)(=O)C1CCN(C(=O)C(F)(F)F)C1)Nc1c2c(cc3c1CCC3)CCC2.[K+].
What is the InChIKey of potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]sulfonylazanide?
The InChIKey is XENQVGUMYGJUCI-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H22F3N3O4S.K/c20-19(21,22)17(26)25-8-7-13(10-25)30(28,29)24-18(27)23-16-14-5-1-3-11(14)9-12-4-2-6-15(12)16;/h9,13H,1-8,10H2,(H2,23,24,27);/q;+1/p-1.
What are the key properties of potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]sulfonylazanide?
potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]sulfonylazanide has a molecular weight of 483.55 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]sulfonylazanide is sourced from PubChem (CID 155658618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).