7-chloro-2,2-difluoro-1-(sulfamoylamino)-1,3-dihydroindene

C9H9ClF2N2O2S — CID 72706591

IUPAC7-chloro-2,2-difluoro-1-(sulfamoylamino)-1,3-dihydroindene
SMILESNS(=O)(=O)NC1c2c(Cl)cccc2CC1(F)F
InChIInChI=1S/C9H9ClF2N2O2S/c10-6-3-1-2-5-4-9(11,12)8(7(5)6)14-17(13,15)16/h1-3,8,14H,4H2,(H2,13,15,16)
InChIKeyJRLXQOAYPQPHFI-UHFFFAOYSA-N
MW282.70 g/mol
LogP1.37
Rot. Bonds2

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

7-chloro-2,2-difluoro-1-(sulfamoylamino)-1,3-dihydroindene (PubChem CID 72706591) has the molecular formula C9H9ClF2N2O2S and a molecular weight of 282.70 g/mol. Its IUPAC name is 7-chloro-2,2-difluoro-1-(sulfamoylamino)-1,3-dihydroindene.

Molecular Properties

Compound Name7-chloro-2,2-difluoro-1-(sulfamoylamino)-1,3-dihydroindene
PubChem CID72706591
Molecular FormulaC9H9ClF2N2O2S
Molecular Weight282.70 g/mol
Exact Mass282.00
IUPAC Name7-chloro-2,2-difluoro-1-(sulfamoylamino)-1,3-dihydroindene
SMILESNS(=O)(=O)NC1c2c(Cl)cccc2CC1(F)F
InChIInChI=1S/C9H9ClF2N2O2S/c10-6-3-1-2-5-4-9(11,12)8(7(5)6)14-17(13,15)16/h1-3,8,14H,4H2,(H2,13,15,16)
InChIKeyJRLXQOAYPQPHFI-UHFFFAOYSA-N
XLogP1.37
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.70
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2,3-dihydro-1H-inden-1-amine hydrochloride
CID 20323401
(1R)-4-chloro-2,3-dihydro-1H-inden-1-amine hydrochloride
CID 137698730
N-[(3-chloro-2-methylphenyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 66604660
4-chloro-2,3-dihydro-1H-inden-1-amine
CID 16244317
(1R)-5-chloro-2,2-difluoro-1,3-dihydroinden-1-amine
CID 66797950
7-Chloro-2,2,5-trifluoro-1-(sulfamoylamino)-1,3-dihydroindene
CID 72706589
7-Chloro-2,2,4-trifluoro-1-(sulfamoylamino)-1,3-dihydroindene
CID 72706590
7-Chloro-2,2,6-trifluoro-1-(sulfamoylamino)-1,3-dihydroindene
CID 72706592
2,2,6,7-Tetrafluoro-1-(sulfamoylamino)-1,3-dihydroindene
CID 72706593
5-Chloro-2,2,7-trifluoro-1-(sulfamoylamino)-1,3-dihydroindene
CID 72706656
(1R,2R)-7-chloro-2,4-difluoro-1-(sulfamoylamino)-2,3-dihydro-1H-indene
CID 72706659
(1R,2R)-7-chloro-2,5-difluoro-1-(sulfamoylamino)-2,3-dihydro-1H-indene
CID 72706660

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,2-difluoro-1-(sulfamoylamino)-1,3-dihydroindene?
The IUPAC name of 7-chloro-2,2-difluoro-1-(sulfamoylamino)-1,3-dihydroindene (CID 72706591) is 7-chloro-2,2-difluoro-1-(sulfamoylamino)-1,3-dihydroindene.
What is the SMILES notation for 7-chloro-2,2-difluoro-1-(sulfamoylamino)-1,3-dihydroindene?
The canonical SMILES for 7-chloro-2,2-difluoro-1-(sulfamoylamino)-1,3-dihydroindene is NS(=O)(=O)NC1c2c(Cl)cccc2CC1(F)F.
What is the InChIKey of 7-chloro-2,2-difluoro-1-(sulfamoylamino)-1,3-dihydroindene?
The InChIKey is JRLXQOAYPQPHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2N2O2S/c10-6-3-1-2-5-4-9(11,12)8(7(5)6)14-17(13,15)16/h1-3,8,14H,4H2,(H2,13,15,16).
What are the key properties of 7-chloro-2,2-difluoro-1-(sulfamoylamino)-1,3-dihydroindene?
7-chloro-2,2-difluoro-1-(sulfamoylamino)-1,3-dihydroindene has a molecular weight of 282.70 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,2-difluoro-1-(sulfamoylamino)-1,3-dihydroindene is sourced from PubChem (CID 72706591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).