(1S)-2,2,5,7-tetrafluoro-1-(sulfamoylamino)-1,3-dihydroindene

C9H8F4N2O2S — CID 72694819

IUPAC(1S)-2,2,5,7-tetrafluoro-1-(sulfamoylamino)-1,3-dihydroindene
SMILESNS(=O)(=O)N[C@H]1c2c(F)cc(F)cc2CC1(F)F
InChIInChI=1S/C9H8F4N2O2S/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)/t8-/m0/s1
InChIKeyZDUAYVUFBARRPR-QMMMGPOBSA-N
MW284.23 g/mol
LogP0.99
Rot. Bonds2

About (1S)-2,2,5,7-tetrafluoro-1-(sulfamoylamino)-1,3-dihydroindene

(1S)-2,2,5,7-tetrafluoro-1-(sulfamoylamino)-1,3-dihydroindene (PubChem CID 72694819) has the molecular formula C9H8F4N2O2S and a molecular weight of 284.23 g/mol. Its IUPAC name is (1S)-2,2,5,7-tetrafluoro-1-(sulfamoylamino)-1,3-dihydroindene.

Molecular Properties

Compound Name(1S)-2,2,5,7-tetrafluoro-1-(sulfamoylamino)-1,3-dihydroindene
PubChem CID72694819
Molecular FormulaC9H8F4N2O2S
Molecular Weight284.23 g/mol
Exact Mass284.02
IUPAC Name(1S)-2,2,5,7-tetrafluoro-1-(sulfamoylamino)-1,3-dihydroindene
SMILESNS(=O)(=O)N[C@H]1c2c(F)cc(F)cc2CC1(F)F
InChIInChI=1S/C9H8F4N2O2S/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)/t8-/m0/s1
InChIKeyZDUAYVUFBARRPR-QMMMGPOBSA-N
XLogP0.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,5,7-tetrafluoro-1-(sulfamoylamino)-1,3-dihydroindene?
The IUPAC name of (1S)-2,2,5,7-tetrafluoro-1-(sulfamoylamino)-1,3-dihydroindene (CID 72694819) is (1S)-2,2,5,7-tetrafluoro-1-(sulfamoylamino)-1,3-dihydroindene.
What is the SMILES notation for (1S)-2,2,5,7-tetrafluoro-1-(sulfamoylamino)-1,3-dihydroindene?
The canonical SMILES for (1S)-2,2,5,7-tetrafluoro-1-(sulfamoylamino)-1,3-dihydroindene is NS(=O)(=O)N[C@H]1c2c(F)cc(F)cc2CC1(F)F.
What is the InChIKey of (1S)-2,2,5,7-tetrafluoro-1-(sulfamoylamino)-1,3-dihydroindene?
The InChIKey is ZDUAYVUFBARRPR-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H8F4N2O2S/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)/t8-/m0/s1.
What are the key properties of (1S)-2,2,5,7-tetrafluoro-1-(sulfamoylamino)-1,3-dihydroindene?
(1S)-2,2,5,7-tetrafluoro-1-(sulfamoylamino)-1,3-dihydroindene has a molecular weight of 284.23 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2,5,7-tetrafluoro-1-(sulfamoylamino)-1,3-dihydroindene is sourced from PubChem (CID 72694819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).