N-(2-fluoroethyl)-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

C23H24F4N4O3S — CID 71771056

IUPACN-(2-fluoroethyl)-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)N(CCF)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C23H24F4N4O3S/c24-9-12-30(15-17-3-1-2-4-20(17)23(25,26)27)22(32)16-7-10-31(11-8-16)35(33,34)19-5-6-21-18(13-19)14-28-29-21/h1-6,13-14,16H,7-12,15H2,(H,28,29)
InChIKeyRXUJUJDSSDSBEF-UHFFFAOYSA-N
MW512.53 g/mol
LogP3.98
Rot. Bonds7

About N-(2-fluoroethyl)-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

N-(2-fluoroethyl)-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 71771056) has the molecular formula C23H24F4N4O3S and a molecular weight of 512.53 g/mol. Its IUPAC name is N-(2-fluoroethyl)-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID71771056
Molecular FormulaC23H24F4N4O3S
Molecular Weight512.53 g/mol
Exact Mass512.15
IUPAC NameN-(2-fluoroethyl)-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)N(CCF)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C23H24F4N4O3S/c24-9-12-30(15-17-3-1-2-4-20(17)23(25,26)27)22(32)16-7-10-31(11-8-16)35(33,34)19-5-6-21-18(13-19)14-28-29-21/h1-6,13-14,16H,7-12,15H2,(H,28,29)
InChIKeyRXUJUJDSSDSBEF-UHFFFAOYSA-N
XLogP3.98
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.53
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-fluoroethyl)-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

ML380
CID 71737672
N-[1-(naphthalene-1-sulfonyl)-1H-indazol-6-yl]piperidine-4-carboxamide
CID 24771120
(4-(3-(1H-pyrazol-5-yl)-5-(trifluoromethyl)phenylsulfonyl)piperazin-1-yl)((1R,2R)-2-(4-(trifluoromethyl)phenyl)cyclopropyl)methanone
CID 42625636
N-ethyl-1-(1H-indazol-5-ylsulfonyl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 71737617
N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 71737618
N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 71737648
N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 71737677
N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 71737681
N-[(2-chlorophenyl)methyl]-N-ethyl-1-(1H-indazol-5-ylsulfonyl)piperidine-4-carboxamide
CID 71737709
1-(1H-indazol-5-ylsulfonyl)-N-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 71771058
N-butan-2-yl-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 118712535
N-(2,2-dimethylpropyl)-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 118712536

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (CID 71771056) is N-(2-fluoroethyl)-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is O=C(C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)N(CCF)Cc1ccccc1C(F)(F)F.
What is the InChIKey of N-(2-fluoroethyl)-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is RXUJUJDSSDSBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N4O3S/c24-9-12-30(15-17-3-1-2-4-20(17)23(25,26)27)22(32)16-7-10-31(11-8-16)35(33,34)19-5-6-21-18(13-19)14-28-29-21/h1-6,13-14,16H,7-12,15H2,(H,28,29).
What are the key properties of N-(2-fluoroethyl)-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
N-(2-fluoroethyl)-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 512.53 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 71771056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).