N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

C23H25F3N4O3S — CID 71737683

IUPACN-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCCN(Cc1cccc(C(F)(F)F)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1
InChIInChI=1S/C23H25F3N4O3S/c1-2-29(15-16-4-3-5-19(12-16)23(24,25)26)22(31)17-8-10-30(11-9-17)34(32,33)20-7-6-18-14-27-28-21(18)13-20/h3-7,12-14,17H,2,8-11,15H2,1H3,(H,27,28)
InChIKeyDLVZFHSPTMHQJL-UHFFFAOYSA-N
MW494.54 g/mol
LogP4.03
Rot. Bonds6

About N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 71737683) has the molecular formula C23H25F3N4O3S and a molecular weight of 494.54 g/mol. Its IUPAC name is N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID71737683
Molecular FormulaC23H25F3N4O3S
Molecular Weight494.54 g/mol
Exact Mass494.16
IUPAC NameN-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCCN(Cc1cccc(C(F)(F)F)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1
InChIInChI=1S/C23H25F3N4O3S/c1-2-29(15-16-4-3-5-19(12-16)23(24,25)26)22(31)17-8-10-30(11-9-17)34(32,33)20-7-6-18-14-27-28-21(18)13-20/h3-7,12-14,17H,2,8-11,15H2,1H3,(H,27,28)
InChIKeyDLVZFHSPTMHQJL-UHFFFAOYSA-N
XLogP4.03
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.54
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (CID 71737683) is N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1.
What is the InChIKey of N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is DLVZFHSPTMHQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O3S/c1-2-29(15-16-4-3-5-19(12-16)23(24,25)26)22(31)17-8-10-30(11-9-17)34(32,33)20-7-6-18-14-27-28-21(18)13-20/h3-7,12-14,17H,2,8-11,15H2,1H3,(H,27,28).
What are the key properties of N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 494.54 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 71737683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).