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

C10H13FN2O2S — CID 72706663

IUPAC5-fluoro-7-methyl-1-(sulfamoylamino)-2,3-dihydro-1H-indene
SMILESCc1cc(F)cc2c1C(NS(N)(=O)=O)CC2
InChIInChI=1S/C10H13FN2O2S/c1-6-4-8(11)5-7-2-3-9(10(6)7)13-16(12,14)15/h4-5,9,13H,2-3H2,1H3,(H2,12,14,15)
InChIKeyHPMROXGRHJKWFL-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.91
Rot. Bonds2

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

5-fluoro-7-methyl-1-(sulfamoylamino)-2,3-dihydro-1H-indene (PubChem CID 72706663) has the molecular formula C10H13FN2O2S and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-fluoro-7-methyl-1-(sulfamoylamino)-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-fluoro-7-methyl-1-(sulfamoylamino)-2,3-dihydro-1H-indene
PubChem CID72706663
Molecular FormulaC10H13FN2O2S
Molecular Weight244.29 g/mol
Exact Mass244.07
IUPAC Name5-fluoro-7-methyl-1-(sulfamoylamino)-2,3-dihydro-1H-indene
SMILESCc1cc(F)cc2c1C(NS(N)(=O)=O)CC2
InChIInChI=1S/C10H13FN2O2S/c1-6-4-8(11)5-7-2-3-9(10(6)7)13-16(12,14)15/h4-5,9,13H,2-3H2,1H3,(H2,12,14,15)
InChIKeyHPMROXGRHJKWFL-UHFFFAOYSA-N
XLogP0.91
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-methyl-1-(sulfamoylamino)-2,3-dihydro-1H-indene?
The IUPAC name of 5-fluoro-7-methyl-1-(sulfamoylamino)-2,3-dihydro-1H-indene (CID 72706663) is 5-fluoro-7-methyl-1-(sulfamoylamino)-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-fluoro-7-methyl-1-(sulfamoylamino)-2,3-dihydro-1H-indene?
The canonical SMILES for 5-fluoro-7-methyl-1-(sulfamoylamino)-2,3-dihydro-1H-indene is Cc1cc(F)cc2c1C(NS(N)(=O)=O)CC2.
What is the InChIKey of 5-fluoro-7-methyl-1-(sulfamoylamino)-2,3-dihydro-1H-indene?
The InChIKey is HPMROXGRHJKWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2S/c1-6-4-8(11)5-7-2-3-9(10(6)7)13-16(12,14)15/h4-5,9,13H,2-3H2,1H3,(H2,12,14,15).
What are the key properties of 5-fluoro-7-methyl-1-(sulfamoylamino)-2,3-dihydro-1H-indene?
5-fluoro-7-methyl-1-(sulfamoylamino)-2,3-dihydro-1H-indene has a molecular weight of 244.29 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-methyl-1-(sulfamoylamino)-2,3-dihydro-1H-indene is sourced from PubChem (CID 72706663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).