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

C10H13FN2O2S — CID 72706664

IUPAC4-fluoro-7-methyl-1-(sulfamoylamino)-2,3-dihydro-1H-indene
SMILESCc1ccc(F)c2c1C(NS(N)(=O)=O)CC2
InChIInChI=1S/C10H13FN2O2S/c1-6-2-4-8(11)7-3-5-9(10(6)7)13-16(12,14)15/h2,4,9,13H,3,5H2,1H3,(H2,12,14,15)
InChIKeyHSXJNPXGAMYRCR-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.91
Rot. Bonds2

About 4-fluoro-7-methyl-1-(sulfamoylamino)-2,3-dihydro-1H-indene

4-fluoro-7-methyl-1-(sulfamoylamino)-2,3-dihydro-1H-indene (PubChem CID 72706664) has the molecular formula C10H13FN2O2S and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-fluoro-7-methyl-1-(sulfamoylamino)-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name4-fluoro-7-methyl-1-(sulfamoylamino)-2,3-dihydro-1H-indene
PubChem CID72706664
Molecular FormulaC10H13FN2O2S
Molecular Weight244.29 g/mol
Exact Mass244.07
IUPAC Name4-fluoro-7-methyl-1-(sulfamoylamino)-2,3-dihydro-1H-indene
SMILESCc1ccc(F)c2c1C(NS(N)(=O)=O)CC2
InChIInChI=1S/C10H13FN2O2S/c1-6-2-4-8(11)7-3-5-9(10(6)7)13-16(12,14)15/h2,4,9,13H,3,5H2,1H3,(H2,12,14,15)
InChIKeyHSXJNPXGAMYRCR-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 4-fluoro-7-methyl-1-(sulfamoylamino)-2,3-dihydro-1H-indene?
The IUPAC name of 4-fluoro-7-methyl-1-(sulfamoylamino)-2,3-dihydro-1H-indene (CID 72706664) is 4-fluoro-7-methyl-1-(sulfamoylamino)-2,3-dihydro-1H-indene.
What is the SMILES notation for 4-fluoro-7-methyl-1-(sulfamoylamino)-2,3-dihydro-1H-indene?
The canonical SMILES for 4-fluoro-7-methyl-1-(sulfamoylamino)-2,3-dihydro-1H-indene is Cc1ccc(F)c2c1C(NS(N)(=O)=O)CC2.
What is the InChIKey of 4-fluoro-7-methyl-1-(sulfamoylamino)-2,3-dihydro-1H-indene?
The InChIKey is HSXJNPXGAMYRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2S/c1-6-2-4-8(11)7-3-5-9(10(6)7)13-16(12,14)15/h2,4,9,13H,3,5H2,1H3,(H2,12,14,15).
What are the key properties of 4-fluoro-7-methyl-1-(sulfamoylamino)-2,3-dihydro-1H-indene?
4-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 4-fluoro-7-methyl-1-(sulfamoylamino)-2,3-dihydro-1H-indene is sourced from PubChem (CID 72706664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).