1-[3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-methylsulfonylphenyl]ethanone

C18H18FNO3S — CID 124886101

IUPAC1-[3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-methylsulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(C)(=O)=O)c(N[C@@H]2CCc3ccc(F)cc32)c1
InChIInChI=1S/C18H18FNO3S/c1-11(21)13-5-8-18(24(2,22)23)17(9-13)20-16-7-4-12-3-6-14(19)10-15(12)16/h3,5-6,8-10,16,20H,4,7H2,1-2H3/t16-/m1/s1
InChIKeyNGQNYCSZGMLHGY-MRXNPFEDSA-N
MW347.41 g/mol
LogP3.53
Rot. Bonds4

About 1-[3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-methylsulfonylphenyl]ethanone

1-[3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-methylsulfonylphenyl]ethanone (PubChem CID 124886101) has the molecular formula C18H18FNO3S and a molecular weight of 347.41 g/mol. Its IUPAC name is 1-[3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-methylsulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-methylsulfonylphenyl]ethanone
PubChem CID124886101
Molecular FormulaC18H18FNO3S
Molecular Weight347.41 g/mol
Exact Mass347.10
IUPAC Name1-[3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-methylsulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(C)(=O)=O)c(N[C@@H]2CCc3ccc(F)cc32)c1
InChIInChI=1S/C18H18FNO3S/c1-11(21)13-5-8-18(24(2,22)23)17(9-13)20-16-7-4-12-3-6-14(19)10-15(12)16/h3,5-6,8-10,16,20H,4,7H2,1-2H3/t16-/m1/s1
InChIKeyNGQNYCSZGMLHGY-MRXNPFEDSA-N
XLogP3.53
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-methylsulfonylphenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-methylsulfonylphenyl]ethanone?
The IUPAC name of 1-[3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-methylsulfonylphenyl]ethanone (CID 124886101) is 1-[3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-methylsulfonylphenyl]ethanone.
What is the SMILES notation for 1-[3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-methylsulfonylphenyl]ethanone?
The canonical SMILES for 1-[3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-methylsulfonylphenyl]ethanone is CC(=O)c1ccc(S(C)(=O)=O)c(N[C@@H]2CCc3ccc(F)cc32)c1.
What is the InChIKey of 1-[3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-methylsulfonylphenyl]ethanone?
The InChIKey is NGQNYCSZGMLHGY-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18FNO3S/c1-11(21)13-5-8-18(24(2,22)23)17(9-13)20-16-7-4-12-3-6-14(19)10-15(12)16/h3,5-6,8-10,16,20H,4,7H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-[3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-methylsulfonylphenyl]ethanone?
1-[3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-methylsulfonylphenyl]ethanone has a molecular weight of 347.41 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-methylsulfonylphenyl]ethanone is sourced from PubChem (CID 124886101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).