5-chloro-2,2,7-trifluoro-1-(sulfamoylamino)-1,3-dihydroindene

C9H8ClF3N2O2S — CID 72706656

IUPAC5-chloro-2,2,7-trifluoro-1-(sulfamoylamino)-1,3-dihydroindene
SMILESNS(=O)(=O)NC1c2c(F)cc(Cl)cc2CC1(F)F
InChIInChI=1S/C9H8ClF3N2O2S/c10-5-1-4-3-9(12,13)8(15-18(14,16)17)7(4)6(11)2-5/h1-2,8,15H,3H2,(H2,14,16,17)
InChIKeyCSEYBDFLKGGTTN-UHFFFAOYSA-N
MW300.69 g/mol
LogP1.50
Rot. Bonds2

About 5-chloro-2,2,7-trifluoro-1-(sulfamoylamino)-1,3-dihydroindene

5-chloro-2,2,7-trifluoro-1-(sulfamoylamino)-1,3-dihydroindene (PubChem CID 72706656) has the molecular formula C9H8ClF3N2O2S and a molecular weight of 300.69 g/mol. Its IUPAC name is 5-chloro-2,2,7-trifluoro-1-(sulfamoylamino)-1,3-dihydroindene.

Molecular Properties

Compound Name5-chloro-2,2,7-trifluoro-1-(sulfamoylamino)-1,3-dihydroindene
PubChem CID72706656
Molecular FormulaC9H8ClF3N2O2S
Molecular Weight300.69 g/mol
Exact Mass299.99
IUPAC Name5-chloro-2,2,7-trifluoro-1-(sulfamoylamino)-1,3-dihydroindene
SMILESNS(=O)(=O)NC1c2c(F)cc(Cl)cc2CC1(F)F
InChIInChI=1S/C9H8ClF3N2O2S/c10-5-1-4-3-9(12,13)8(15-18(14,16)17)7(4)6(11)2-5/h1-2,8,15H,3H2,(H2,14,16,17)
InChIKeyCSEYBDFLKGGTTN-UHFFFAOYSA-N
XLogP1.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.69
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,2,7-trifluoro-1-(sulfamoylamino)-1,3-dihydroindene?
The IUPAC name of 5-chloro-2,2,7-trifluoro-1-(sulfamoylamino)-1,3-dihydroindene (CID 72706656) is 5-chloro-2,2,7-trifluoro-1-(sulfamoylamino)-1,3-dihydroindene.
What is the SMILES notation for 5-chloro-2,2,7-trifluoro-1-(sulfamoylamino)-1,3-dihydroindene?
The canonical SMILES for 5-chloro-2,2,7-trifluoro-1-(sulfamoylamino)-1,3-dihydroindene is NS(=O)(=O)NC1c2c(F)cc(Cl)cc2CC1(F)F.
What is the InChIKey of 5-chloro-2,2,7-trifluoro-1-(sulfamoylamino)-1,3-dihydroindene?
The InChIKey is CSEYBDFLKGGTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2O2S/c10-5-1-4-3-9(12,13)8(15-18(14,16)17)7(4)6(11)2-5/h1-2,8,15H,3H2,(H2,14,16,17).
What are the key properties of 5-chloro-2,2,7-trifluoro-1-(sulfamoylamino)-1,3-dihydroindene?
5-chloro-2,2,7-trifluoro-1-(sulfamoylamino)-1,3-dihydroindene has a molecular weight of 300.69 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,2,7-trifluoro-1-(sulfamoylamino)-1,3-dihydroindene is sourced from PubChem (CID 72706656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).