1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2,4,6-trifluorophenyl)methylsulfamoyl]urea

C20H20F3N3O3S — CID 130356282

IUPAC1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2,4,6-trifluorophenyl)methylsulfamoyl]urea
SMILESO=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)NCc1c(F)cc(F)cc1F
InChIInChI=1S/C20H20F3N3O3S/c21-13-8-17(22)16(18(23)9-13)10-24-30(28,29)26-20(27)25-19-14-5-1-3-11(14)7-12-4-2-6-15(12)19/h7-9,24H,1-6,10H2,(H2,25,26,27)
InChIKeySKYVYCDGKORYTG-UHFFFAOYSA-N
MW439.46 g/mol
LogP3.24
Rot. Bonds5

About 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2,4,6-trifluorophenyl)methylsulfamoyl]urea

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2,4,6-trifluorophenyl)methylsulfamoyl]urea (PubChem CID 130356282) has the molecular formula C20H20F3N3O3S and a molecular weight of 439.46 g/mol. Its IUPAC name is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2,4,6-trifluorophenyl)methylsulfamoyl]urea.

Molecular Properties

Compound Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2,4,6-trifluorophenyl)methylsulfamoyl]urea
PubChem CID130356282
Molecular FormulaC20H20F3N3O3S
Molecular Weight439.46 g/mol
Exact Mass439.12
IUPAC Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2,4,6-trifluorophenyl)methylsulfamoyl]urea
SMILESO=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)NCc1c(F)cc(F)cc1F
InChIInChI=1S/C20H20F3N3O3S/c21-13-8-17(22)16(18(23)9-13)10-24-30(28,29)26-20(27)25-19-14-5-1-3-11(14)7-12-4-2-6-15(12)19/h7-9,24H,1-6,10H2,(H2,25,26,27)
InChIKeySKYVYCDGKORYTG-UHFFFAOYSA-N
XLogP3.24
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.46
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chloro-2-fluorophenyl)methylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 130356278
2-(azetidin-1-yl)ethanamine;1-[2-(azetidin-1-yl)ethylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 165090137
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-hydroxybutylsulfamoyl)urea
CID 146394304
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylazetidin-3-yl)methylsulfamoyl]urea
CID 146394255
1-[N-cyano-S-(3,5-difluorophenyl)sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 146526284
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylazetidin-2-yl)methylsulfamoyl]urea
CID 146394288
1-[2-(dimethylamino)propylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;2-N,2-N-dimethylpropane-1,2-diamine
CID 165103016
1-(cyclopropylmethylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 154593397
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methylsulfamoyl]urea
CID 164793573
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyrimidin-5-ylsulfonylurea
CID 137404275
1-butan-2-ylsulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 142529699
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(3-hydroxypropyl)azetidin-3-yl]sulfonylurea
CID 137403185

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2,4,6-trifluorophenyl)methylsulfamoyl]urea?
The IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2,4,6-trifluorophenyl)methylsulfamoyl]urea (CID 130356282) is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2,4,6-trifluorophenyl)methylsulfamoyl]urea.
What is the SMILES notation for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2,4,6-trifluorophenyl)methylsulfamoyl]urea?
The canonical SMILES for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2,4,6-trifluorophenyl)methylsulfamoyl]urea is O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)NCc1c(F)cc(F)cc1F.
What is the InChIKey of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2,4,6-trifluorophenyl)methylsulfamoyl]urea?
The InChIKey is SKYVYCDGKORYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O3S/c21-13-8-17(22)16(18(23)9-13)10-24-30(28,29)26-20(27)25-19-14-5-1-3-11(14)7-12-4-2-6-15(12)19/h7-9,24H,1-6,10H2,(H2,25,26,27).
What are the key properties of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2,4,6-trifluorophenyl)methylsulfamoyl]urea?
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2,4,6-trifluorophenyl)methylsulfamoyl]urea has a molecular weight of 439.46 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2,4,6-trifluorophenyl)methylsulfamoyl]urea is sourced from PubChem (CID 130356282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).