N-methyl-N-(1-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide

C23H26F3N3O3S — CID 46891113

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide
SMILESCN1CCC(N(C)C(=O)C2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)c3ccccc32)CC1
InChIInChI=1S/C23H26F3N3O3S/c1-27-12-10-17(11-13-27)28(2)22(30)20-15-29(21-9-4-3-8-19(20)21)33(31,32)18-7-5-6-16(14-18)23(24,25)26/h3-9,14,17,20H,10-13,15H2,1-2H3
InChIKeyLAEJWODXALUNNC-UHFFFAOYSA-N
MW481.54 g/mol
LogP3.55
Rot. Bonds4

About N-methyl-N-(1-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide

N-methyl-N-(1-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide (PubChem CID 46891113) has the molecular formula C23H26F3N3O3S and a molecular weight of 481.54 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide
PubChem CID46891113
Molecular FormulaC23H26F3N3O3S
Molecular Weight481.54 g/mol
Exact Mass481.16
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide
SMILESCN1CCC(N(C)C(=O)C2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)c3ccccc32)CC1
InChIInChI=1S/C23H26F3N3O3S/c1-27-12-10-17(11-13-27)28(2)22(30)20-15-29(21-9-4-3-8-19(20)21)33(31,32)18-7-5-6-16(14-18)23(24,25)26/h3-9,14,17,20H,10-13,15H2,1-2H3
InChIKeyLAEJWODXALUNNC-UHFFFAOYSA-N
XLogP3.55
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.54
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide (CID 46891113) is N-methyl-N-(1-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide is CN1CCC(N(C)C(=O)C2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)c3ccccc32)CC1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide?
The InChIKey is LAEJWODXALUNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O3S/c1-27-12-10-17(11-13-27)28(2)22(30)20-15-29(21-9-4-3-8-19(20)21)33(31,32)18-7-5-6-16(14-18)23(24,25)26/h3-9,14,17,20H,10-13,15H2,1-2H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide?
N-methyl-N-(1-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide has a molecular weight of 481.54 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide is sourced from PubChem (CID 46891113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).