4-[[4-(2-methoxyphenyl)-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate

C20H20F3N2O5S- — CID 154281676

IUPAC4-[[4-(2-methoxyphenyl)-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
SMILESCOc1ccccc1-c1ccc(S(=O)(=O)NC2CCN(C(=O)[O-])CC2)c(C(F)(F)F)c1
InChIInChI=1S/C20H21F3N2O5S/c1-30-17-5-3-2-4-15(17)13-6-7-18(16(12-13)20(21,22)23)31(28,29)24-14-8-10-25(11-9-14)19(26)27/h2-7,12,14,24H,8-11H2,1H3,(H,26,27)/p-1
InChIKeyMBQVZBXLMYSRBN-UHFFFAOYSA-M
MW457.45 g/mol
LogP2.47
Rot. Bonds5

About 4-[[4-(2-methoxyphenyl)-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate

4-[[4-(2-methoxyphenyl)-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate (PubChem CID 154281676) has the molecular formula C20H20F3N2O5S- and a molecular weight of 457.45 g/mol. Its IUPAC name is 4-[[4-(2-methoxyphenyl)-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Name4-[[4-(2-methoxyphenyl)-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
PubChem CID154281676
Molecular FormulaC20H20F3N2O5S-
Molecular Weight457.45 g/mol
Exact Mass457.11
IUPAC Name4-[[4-(2-methoxyphenyl)-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
SMILESCOc1ccccc1-c1ccc(S(=O)(=O)NC2CCN(C(=O)[O-])CC2)c(C(F)(F)F)c1
InChIInChI=1S/C20H21F3N2O5S/c1-30-17-5-3-2-4-15(17)13-6-7-18(16(12-13)20(21,22)23)31(28,29)24-14-8-10-25(11-9-14)19(26)27/h2-7,12,14,24H,8-11H2,1H3,(H,26,27)/p-1
InChIKeyMBQVZBXLMYSRBN-UHFFFAOYSA-M
XLogP2.47
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 154237982
4-[[4-(2,6-dimethylphenyl)-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 154079643
N-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzenesulfonamide
CID 87719666
N-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-4-(2-propoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 87719694
N-[1-(2-aminoacetyl)piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide
CID 69167156
tert-butyl 4-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 55987776
2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 171913966
3-[4-[[4-(2,3-dichlorophenyl)-2-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]sulfonylbenzoic acid
CID 24955649
N-[1-[6-(dimethylamino)pyridine-3-carbonyl]piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide
CID 69166772
N-[1-[(3R)-3-(2,2-dimethylpropanoyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide
CID 87719950
(5S)-N-tert-butyl-2-oxo-5-[4-[[4-phenyl-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carbonyl]pyrrolidine-1-carboxamide
CID 69196628
2-methoxy-4,5-dimethyl-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108566975

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methoxyphenyl)-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate?
The IUPAC name of 4-[[4-(2-methoxyphenyl)-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate (CID 154281676) is 4-[[4-(2-methoxyphenyl)-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate.
What is the SMILES notation for 4-[[4-(2-methoxyphenyl)-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate?
The canonical SMILES for 4-[[4-(2-methoxyphenyl)-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate is COc1ccccc1-c1ccc(S(=O)(=O)NC2CCN(C(=O)[O-])CC2)c(C(F)(F)F)c1.
What is the InChIKey of 4-[[4-(2-methoxyphenyl)-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate?
The InChIKey is MBQVZBXLMYSRBN-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H21F3N2O5S/c1-30-17-5-3-2-4-15(17)13-6-7-18(16(12-13)20(21,22)23)31(28,29)24-14-8-10-25(11-9-14)19(26)27/h2-7,12,14,24H,8-11H2,1H3,(H,26,27)/p-1.
What are the key properties of 4-[[4-(2-methoxyphenyl)-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate?
4-[[4-(2-methoxyphenyl)-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate has a molecular weight of 457.45 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methoxyphenyl)-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 154281676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).