N-[(2S)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide

C17H19FN2O2S — CID 46398805

IUPACN-[(2S)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1Cc2ccc(-c3ccc(F)nc3)cc2C1
InChIInChI=1S/C17H19FN2O2S/c1-11(2)23(21,22)20-16-8-13-4-3-12(7-15(13)9-16)14-5-6-17(18)19-10-14/h3-7,10-11,16,20H,8-9H2,1-2H3/t16-/m0/s1
InChIKeyQXQSUBKWSHMXDP-INIZCTEOSA-N
MW334.42 g/mol
LogP2.68
Rot. Bonds4

About N-[(2S)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide

N-[(2S)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide (PubChem CID 46398805) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(2S)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
PubChem CID46398805
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC NameN-[(2S)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1Cc2ccc(-c3ccc(F)nc3)cc2C1
InChIInChI=1S/C17H19FN2O2S/c1-11(2)23(21,22)20-16-8-13-4-3-12(7-15(13)9-16)14-5-6-17(18)19-10-14/h3-7,10-11,16,20H,8-9H2,1-2H3/t16-/m0/s1
InChIKeyQXQSUBKWSHMXDP-INIZCTEOSA-N
XLogP2.68
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

n-[5-(2,6-Dimethyl-3-pyridinyl)-2,3-dihydro-1h-inden-2-yl]-2-propanesulfonamide
CID 11515728
n-[5-(5-Cyano-3-pyridinyl)-2,3-dihydro-1h-inden-2-yl]-2-propanesulfonamide
CID 11522969
n-[5-(5-Methyl-2-pyridinyl)-2,3-dihydro-1h-inden-2-yl]-2-propanesulfonamide
CID 11566130
n-[5-(5-Chloro-2-pyridinyl)-2,3-dihydro-1h-inden-2-yl]-2-propanesulfonamide
CID 11566489
N-((3R,4R)-4-(4-(6-fluoropyridin-3-yl)phenyl)-1-phenylpyrrolidin-3-yl)propane-2-sulfonamide
CID 11568363
N-[5-(5-fluoro-2-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 11573549
n-[5-(3-Pyridinyl)-2,3-dihydro-1h-inden-2-yl]-2-propanesulfonamide
CID 11580514
N-((3R,4R)-4-(4-(6-fluoropyridin-3-yl)phenyl)-1-methylpyrrolidin-3-yl)propane-2-sulfonamide
CID 11632254
2-Propanesulfonamide, N-[(2S)-2,3-dihydro-5-(6-methyl-3-pyridinyl)-1H-inden-2-yl]-
CID 11688520
2-Propanesulfonamide,N-[(2S)-2,3-dihydro-5-(6-methyl-3-pyridinyl)-1H-inden-2-yl]-
CID 46900138
n-[(2s)-5-(5-Fluoro-2-pyridinyl)-2,3-dihydro-1h-inden-2-yl]-2-propanesulfonamide
CID 46900139
N-(2,4-difluoro-3-isoquinolin-7-ylphenyl)propane-1-sulfonamide
CID 70691945

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The IUPAC name of N-[(2S)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide (CID 46398805) is N-[(2S)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[(2S)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The canonical SMILES for N-[(2S)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)N[C@H]1Cc2ccc(-c3ccc(F)nc3)cc2C1.
What is the InChIKey of N-[(2S)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The InChIKey is QXQSUBKWSHMXDP-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c1-11(2)23(21,22)20-16-8-13-4-3-12(7-15(13)9-16)14-5-6-17(18)19-10-14/h3-7,10-11,16,20H,8-9H2,1-2H3/t16-/m0/s1.
What are the key properties of N-[(2S)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
N-[(2S)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide has a molecular weight of 334.42 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide is sourced from PubChem (CID 46398805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).