N-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-methylpyrazole-4-sulfonamide

C23H26F2N4O2S — CID 66744438

IUPACN-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-methylpyrazole-4-sulfonamide
SMILESCNCC1Cc2cc(F)c(CNS(=O)(=O)c3cnn(C)c3)cc2C1Cc1cccc(F)c1
InChIInChI=1S/C23H26F2N4O2S/c1-26-11-17-8-16-10-23(25)18(12-28-32(30,31)20-13-27-29(2)14-20)9-22(16)21(17)7-15-4-3-5-19(24)6-15/h3-6,9-10,13-14,17,21,26,28H,7-8,11-12H2,1-2H3
InChIKeyGKFUSYALQAKWSE-UHFFFAOYSA-N
MW460.55 g/mol
LogP2.89
Rot. Bonds8

About N-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-methylpyrazole-4-sulfonamide

N-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 66744438) has the molecular formula C23H26F2N4O2S and a molecular weight of 460.55 g/mol. Its IUPAC name is N-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-methylpyrazole-4-sulfonamide
PubChem CID66744438
Molecular FormulaC23H26F2N4O2S
Molecular Weight460.55 g/mol
Exact Mass460.17
IUPAC NameN-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-methylpyrazole-4-sulfonamide
SMILESCNCC1Cc2cc(F)c(CNS(=O)(=O)c3cnn(C)c3)cc2C1Cc1cccc(F)c1
InChIInChI=1S/C23H26F2N4O2S/c1-26-11-17-8-16-10-23(25)18(12-28-32(30,31)20-13-27-29(2)14-20)9-22(16)21(17)7-15-4-3-5-19(24)6-15/h3-6,9-10,13-14,17,21,26,28H,7-8,11-12H2,1-2H3
InChIKeyGKFUSYALQAKWSE-UHFFFAOYSA-N
XLogP2.89
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-methylpyrazole-4-sulfonamide (CID 66744438) is N-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-methylpyrazole-4-sulfonamide is CNCC1Cc2cc(F)c(CNS(=O)(=O)c3cnn(C)c3)cc2C1Cc1cccc(F)c1.
What is the InChIKey of N-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is GKFUSYALQAKWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4O2S/c1-26-11-17-8-16-10-23(25)18(12-28-32(30,31)20-13-27-29(2)14-20)9-22(16)21(17)7-15-4-3-5-19(24)6-15/h3-6,9-10,13-14,17,21,26,28H,7-8,11-12H2,1-2H3.
What are the key properties of N-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-methylpyrazole-4-sulfonamide?
N-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 460.55 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-fluoro-3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 66744438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).