1-(2-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-6-carboxamide

C21H24FN3O3S — CID 53160550

IUPAC1-(2-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-6-carboxamide
SMILESCN1CCC(NC(=O)c2ccc3c(c2)N(S(=O)(=O)c2ccccc2F)CC3)CC1
InChIInChI=1S/C21H24FN3O3S/c1-24-11-9-17(10-12-24)23-21(26)16-7-6-15-8-13-25(19(15)14-16)29(27,28)20-5-3-2-4-18(20)22/h2-7,14,17H,8-13H2,1H3,(H,23,26)
InChIKeyGKRMLOPZMFSHOD-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.40
Rot. Bonds4

About 1-(2-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-6-carboxamide

1-(2-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-6-carboxamide (PubChem CID 53160550) has the molecular formula C21H24FN3O3S and a molecular weight of 417.51 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-6-carboxamide
PubChem CID53160550
Molecular FormulaC21H24FN3O3S
Molecular Weight417.51 g/mol
Exact Mass417.15
IUPAC Name1-(2-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-6-carboxamide
SMILESCN1CCC(NC(=O)c2ccc3c(c2)N(S(=O)(=O)c2ccccc2F)CC3)CC1
InChIInChI=1S/C21H24FN3O3S/c1-24-11-9-17(10-12-24)23-21(26)16-7-6-15-8-13-25(19(15)14-16)29(27,28)20-5-3-2-4-18(20)22/h2-7,14,17H,8-13H2,1H3,(H,23,26)
InChIKeyGKRMLOPZMFSHOD-UHFFFAOYSA-N
XLogP2.40
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-6-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-6-carboxamide (CID 53160550) is 1-(2-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-6-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-6-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-6-carboxamide is CN1CCC(NC(=O)c2ccc3c(c2)N(S(=O)(=O)c2ccccc2F)CC3)CC1.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-6-carboxamide?
The InChIKey is GKRMLOPZMFSHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3S/c1-24-11-9-17(10-12-24)23-21(26)16-7-6-15-8-13-25(19(15)14-16)29(27,28)20-5-3-2-4-18(20)22/h2-7,14,17H,8-13H2,1H3,(H,23,26).
What are the key properties of 1-(2-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-6-carboxamide?
1-(2-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-6-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 53160550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).