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

C9H10ClFN2O2S — CID 72706726

IUPAC5-chloro-7-fluoro-1-(sulfamoylamino)-2,3-dihydro-1H-indene
SMILESNS(=O)(=O)NC1CCc2cc(Cl)cc(F)c21
InChIInChI=1S/C9H10ClFN2O2S/c10-6-3-5-1-2-8(13-16(12,14)15)9(5)7(11)4-6/h3-4,8,13H,1-2H2,(H2,12,14,15)
InChIKeyAJXYKNKZPWKBRQ-UHFFFAOYSA-N
MW264.71 g/mol
LogP1.26
Rot. Bonds2

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

5-chloro-7-fluoro-1-(sulfamoylamino)-2,3-dihydro-1H-indene (PubChem CID 72706726) has the molecular formula C9H10ClFN2O2S and a molecular weight of 264.71 g/mol. Its IUPAC name is 5-chloro-7-fluoro-1-(sulfamoylamino)-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-chloro-7-fluoro-1-(sulfamoylamino)-2,3-dihydro-1H-indene
PubChem CID72706726
Molecular FormulaC9H10ClFN2O2S
Molecular Weight264.71 g/mol
Exact Mass264.01
IUPAC Name5-chloro-7-fluoro-1-(sulfamoylamino)-2,3-dihydro-1H-indene
SMILESNS(=O)(=O)NC1CCc2cc(Cl)cc(F)c21
InChIInChI=1S/C9H10ClFN2O2S/c10-6-3-5-1-2-8(13-16(12,14)15)9(5)7(11)4-6/h3-4,8,13H,1-2H2,(H2,12,14,15)
InChIKeyAJXYKNKZPWKBRQ-UHFFFAOYSA-N
XLogP1.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-fluoro-1-(sulfamoylamino)-2,3-dihydro-1H-indene?
The IUPAC name of 5-chloro-7-fluoro-1-(sulfamoylamino)-2,3-dihydro-1H-indene (CID 72706726) is 5-chloro-7-fluoro-1-(sulfamoylamino)-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-chloro-7-fluoro-1-(sulfamoylamino)-2,3-dihydro-1H-indene?
The canonical SMILES for 5-chloro-7-fluoro-1-(sulfamoylamino)-2,3-dihydro-1H-indene is NS(=O)(=O)NC1CCc2cc(Cl)cc(F)c21.
What is the InChIKey of 5-chloro-7-fluoro-1-(sulfamoylamino)-2,3-dihydro-1H-indene?
The InChIKey is AJXYKNKZPWKBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN2O2S/c10-6-3-5-1-2-8(13-16(12,14)15)9(5)7(11)4-6/h3-4,8,13H,1-2H2,(H2,12,14,15).
What are the key properties of 5-chloro-7-fluoro-1-(sulfamoylamino)-2,3-dihydro-1H-indene?
5-chloro-7-fluoro-1-(sulfamoylamino)-2,3-dihydro-1H-indene has a molecular weight of 264.71 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-fluoro-1-(sulfamoylamino)-2,3-dihydro-1H-indene is sourced from PubChem (CID 72706726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).