(1R,2R)-7-chloro-2,5-difluoro-1-(sulfamoylamino)-2,3-dihydro-1H-indene

C9H9ClF2N2O2S — CID 72706660

IUPAC(1R,2R)-7-chloro-2,5-difluoro-1-(sulfamoylamino)-2,3-dihydro-1H-indene
SMILESNS(=O)(=O)N[C@@H]1c2c(Cl)cc(F)cc2C[C@H]1F
InChIInChI=1S/C9H9ClF2N2O2S/c10-6-3-5(11)1-4-2-7(12)9(8(4)6)14-17(13,15)16/h1,3,7,9,14H,2H2,(H2,13,15,16)/t7-,9+/m1/s1
InChIKeyQTWBXFKBWZDIPS-APPZFPTMSA-N
MW282.70 g/mol
LogP1.21
Rot. Bonds2

About (1R,2R)-7-chloro-2,5-difluoro-1-(sulfamoylamino)-2,3-dihydro-1H-indene

(1R,2R)-7-chloro-2,5-difluoro-1-(sulfamoylamino)-2,3-dihydro-1H-indene (PubChem CID 72706660) has the molecular formula C9H9ClF2N2O2S and a molecular weight of 282.70 g/mol. Its IUPAC name is (1R,2R)-7-chloro-2,5-difluoro-1-(sulfamoylamino)-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(1R,2R)-7-chloro-2,5-difluoro-1-(sulfamoylamino)-2,3-dihydro-1H-indene
PubChem CID72706660
Molecular FormulaC9H9ClF2N2O2S
Molecular Weight282.70 g/mol
Exact Mass282.00
IUPAC Name(1R,2R)-7-chloro-2,5-difluoro-1-(sulfamoylamino)-2,3-dihydro-1H-indene
SMILESNS(=O)(=O)N[C@@H]1c2c(Cl)cc(F)cc2C[C@H]1F
InChIInChI=1S/C9H9ClF2N2O2S/c10-6-3-5(11)1-4-2-7(12)9(8(4)6)14-17(13,15)16/h1,3,7,9,14H,2H2,(H2,13,15,16)/t7-,9+/m1/s1
InChIKeyQTWBXFKBWZDIPS-APPZFPTMSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-7-chloro-2,5-difluoro-1-(sulfamoylamino)-2,3-dihydro-1H-indene?
The IUPAC name of (1R,2R)-7-chloro-2,5-difluoro-1-(sulfamoylamino)-2,3-dihydro-1H-indene (CID 72706660) is (1R,2R)-7-chloro-2,5-difluoro-1-(sulfamoylamino)-2,3-dihydro-1H-indene.
What is the SMILES notation for (1R,2R)-7-chloro-2,5-difluoro-1-(sulfamoylamino)-2,3-dihydro-1H-indene?
The canonical SMILES for (1R,2R)-7-chloro-2,5-difluoro-1-(sulfamoylamino)-2,3-dihydro-1H-indene is NS(=O)(=O)N[C@@H]1c2c(Cl)cc(F)cc2C[C@H]1F.
What is the InChIKey of (1R,2R)-7-chloro-2,5-difluoro-1-(sulfamoylamino)-2,3-dihydro-1H-indene?
The InChIKey is QTWBXFKBWZDIPS-APPZFPTMSA-N. The full InChI is InChI=1S/C9H9ClF2N2O2S/c10-6-3-5(11)1-4-2-7(12)9(8(4)6)14-17(13,15)16/h1,3,7,9,14H,2H2,(H2,13,15,16)/t7-,9+/m1/s1.
What are the key properties of (1R,2R)-7-chloro-2,5-difluoro-1-(sulfamoylamino)-2,3-dihydro-1H-indene?
(1R,2R)-7-chloro-2,5-difluoro-1-(sulfamoylamino)-2,3-dihydro-1H-indene has a molecular weight of 282.70 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-7-chloro-2,5-difluoro-1-(sulfamoylamino)-2,3-dihydro-1H-indene is sourced from PubChem (CID 72706660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).