3-(1-ethylsulfonylpiperidin-4-yl)-5-(4-fluoro-2-methylphenyl)-1H-indole-7-carboxamide

C23H26FN3O3S — CID 11154979

IUPAC3-(1-ethylsulfonylpiperidin-4-yl)-5-(4-fluoro-2-methylphenyl)-1H-indole-7-carboxamide
SMILESCCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccc(F)cc4C)cc23)CC1
InChIInChI=1S/C23H26FN3O3S/c1-3-31(29,30)27-8-6-15(7-9-27)21-13-26-22-19(21)11-16(12-20(22)23(25)28)18-5-4-17(24)10-14(18)2/h4-5,10-13,15,26H,3,6-9H2,1-2H3,(H2,25,28)
InChIKeyDNWRYLFJGQWWSY-UHFFFAOYSA-N
MW443.54 g/mol
LogP3.91
Rot. Bonds5

About 3-(1-ethylsulfonylpiperidin-4-yl)-5-(4-fluoro-2-methylphenyl)-1H-indole-7-carboxamide

3-(1-ethylsulfonylpiperidin-4-yl)-5-(4-fluoro-2-methylphenyl)-1H-indole-7-carboxamide (PubChem CID 11154979) has the molecular formula C23H26FN3O3S and a molecular weight of 443.54 g/mol. Its IUPAC name is 3-(1-ethylsulfonylpiperidin-4-yl)-5-(4-fluoro-2-methylphenyl)-1H-indole-7-carboxamide.

Molecular Properties

Compound Name3-(1-ethylsulfonylpiperidin-4-yl)-5-(4-fluoro-2-methylphenyl)-1H-indole-7-carboxamide
PubChem CID11154979
Molecular FormulaC23H26FN3O3S
Molecular Weight443.54 g/mol
Exact Mass443.17
IUPAC Name3-(1-ethylsulfonylpiperidin-4-yl)-5-(4-fluoro-2-methylphenyl)-1H-indole-7-carboxamide
SMILESCCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccc(F)cc4C)cc23)CC1
InChIInChI=1S/C23H26FN3O3S/c1-3-31(29,30)27-8-6-15(7-9-27)21-13-26-22-19(21)11-16(12-20(22)23(25)28)18-5-4-17(24)10-14(18)2/h4-5,10-13,15,26H,3,6-9H2,1-2H3,(H2,25,28)
InChIKeyDNWRYLFJGQWWSY-UHFFFAOYSA-N
XLogP3.91
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylsulfonylpiperidin-4-yl)-5-(4-fluoro-2-methylphenyl)-1H-indole-7-carboxamide?
The IUPAC name of 3-(1-ethylsulfonylpiperidin-4-yl)-5-(4-fluoro-2-methylphenyl)-1H-indole-7-carboxamide (CID 11154979) is 3-(1-ethylsulfonylpiperidin-4-yl)-5-(4-fluoro-2-methylphenyl)-1H-indole-7-carboxamide.
What is the SMILES notation for 3-(1-ethylsulfonylpiperidin-4-yl)-5-(4-fluoro-2-methylphenyl)-1H-indole-7-carboxamide?
The canonical SMILES for 3-(1-ethylsulfonylpiperidin-4-yl)-5-(4-fluoro-2-methylphenyl)-1H-indole-7-carboxamide is CCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccc(F)cc4C)cc23)CC1.
What is the InChIKey of 3-(1-ethylsulfonylpiperidin-4-yl)-5-(4-fluoro-2-methylphenyl)-1H-indole-7-carboxamide?
The InChIKey is DNWRYLFJGQWWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O3S/c1-3-31(29,30)27-8-6-15(7-9-27)21-13-26-22-19(21)11-16(12-20(22)23(25)28)18-5-4-17(24)10-14(18)2/h4-5,10-13,15,26H,3,6-9H2,1-2H3,(H2,25,28).
What are the key properties of 3-(1-ethylsulfonylpiperidin-4-yl)-5-(4-fluoro-2-methylphenyl)-1H-indole-7-carboxamide?
3-(1-ethylsulfonylpiperidin-4-yl)-5-(4-fluoro-2-methylphenyl)-1H-indole-7-carboxamide has a molecular weight of 443.54 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylsulfonylpiperidin-4-yl)-5-(4-fluoro-2-methylphenyl)-1H-indole-7-carboxamide is sourced from PubChem (CID 11154979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).