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

C14H16F3N2O5S- — CID 154237982

IUPAC4-[[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
SMILESCOc1ccc(S(=O)(=O)NC2CCN(C(=O)[O-])CC2)c(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O5S/c1-24-10-2-3-12(11(8-10)14(15,16)17)25(22,23)18-9-4-6-19(7-5-9)13(20)21/h2-3,8-9,18H,4-7H2,1H3,(H,20,21)/p-1
InChIKeyVDWQXIKJDBFHDE-UHFFFAOYSA-M
MW381.35 g/mol
LogP0.80
Rot. Bonds4

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

4-[[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate (PubChem CID 154237982) has the molecular formula C14H16F3N2O5S- and a molecular weight of 381.35 g/mol. Its IUPAC name is 4-[[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Name4-[[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
PubChem CID154237982
Molecular FormulaC14H16F3N2O5S-
Molecular Weight381.35 g/mol
Exact Mass381.07
IUPAC Name4-[[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
SMILESCOc1ccc(S(=O)(=O)NC2CCN(C(=O)[O-])CC2)c(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O5S/c1-24-10-2-3-12(11(8-10)14(15,16)17)25(22,23)18-9-4-6-19(7-5-9)13(20)21/h2-3,8-9,18H,4-7H2,1H3,(H,20,21)/p-1
InChIKeyVDWQXIKJDBFHDE-UHFFFAOYSA-M
XLogP0.80
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(2-methoxyphenyl)-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 154281676
4-[[4-(2,6-dimethylphenyl)-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 154079643
4-methoxy-2-methyl-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide
CID 110819180
tert-butyl 4-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 55987776
4-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 50823789
ethyl 4-[(2,5-dimethoxyphenyl)sulfonylamino]piperidine-1-carboxylate
CID 32944673
4-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 110736336
4-bromo-N-[1-(2-chloro-6-methylpyridine-4-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 87719992
N-[1-(2-aminoacetyl)piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide
CID 69167156
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 50823745
4-bromo-N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 87719374
4-methoxy-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide
CID 110819170

Frequently Asked Questions

What is the IUPAC name of 4-[[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate?
The IUPAC name of 4-[[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate (CID 154237982) is 4-[[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate.
What is the SMILES notation for 4-[[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate?
The canonical SMILES for 4-[[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate is COc1ccc(S(=O)(=O)NC2CCN(C(=O)[O-])CC2)c(C(F)(F)F)c1.
What is the InChIKey of 4-[[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate?
The InChIKey is VDWQXIKJDBFHDE-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H17F3N2O5S/c1-24-10-2-3-12(11(8-10)14(15,16)17)25(22,23)18-9-4-6-19(7-5-9)13(20)21/h2-3,8-9,18H,4-7H2,1H3,(H,20,21)/p-1.
What are the key properties of 4-[[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate?
4-[[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate has a molecular weight of 381.35 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 154237982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).