4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate

C14H16F3N2O4S- — CID 152770738

IUPAC4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate
SMILESO=C([O-])N1CCC(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H17F3N2O4S/c15-14(16,17)11-2-1-3-12(8-11)24(22,23)18-9-10-4-6-19(7-5-10)13(20)21/h1-3,8,10,18H,4-7,9H2,(H,20,21)/p-1
InChIKeyJZZRLAOJCNSXSG-UHFFFAOYSA-M
MW365.35 g/mol
LogP1.04
Rot. Bonds4

About 4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate

4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate (PubChem CID 152770738) has the molecular formula C14H16F3N2O4S- and a molecular weight of 365.35 g/mol. Its IUPAC name is 4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate
PubChem CID152770738
Molecular FormulaC14H16F3N2O4S-
Molecular Weight365.35 g/mol
Exact Mass365.08
IUPAC Name4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate
SMILESO=C([O-])N1CCC(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H17F3N2O4S/c15-14(16,17)11-2-1-3-12(8-11)24(22,23)18-9-10-4-6-19(7-5-10)13(20)21/h1-3,8,10,18H,4-7,9H2,(H,20,21)/p-1
InChIKeyJZZRLAOJCNSXSG-UHFFFAOYSA-M
XLogP1.04
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorocyclobutyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 66004822
N-[[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 71961640
N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 119104068
N-[[1-[(3S)-3-(1,2,4-triazol-4-yl)pyrrolidine-1-carbonyl]azetidin-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 175974815
N-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119413147
N-[[(3R)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 94061219
N-[[(3R)-1-[(4-cyclopropyloxyphenyl)methyl]pyrrolidin-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 144961584
N-[4-[3-(aminomethyl)pyrrolidin-1-yl]-4-oxobutyl]-3-(trifluoromethyl)benzenesulfonamide
CID 119486455
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 121108267
N-(cyclopropylmethyl)-3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 37023245
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2574466
tert-butyl (3R)-3-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]pyrrolidine-1-carboxylate
CID 66559419

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate?
The IUPAC name of 4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate (CID 152770738) is 4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for 4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate?
The canonical SMILES for 4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate is O=C([O-])N1CCC(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate?
The InChIKey is JZZRLAOJCNSXSG-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H17F3N2O4S/c15-14(16,17)11-2-1-3-12(8-11)24(22,23)18-9-10-4-6-19(7-5-10)13(20)21/h1-3,8,10,18H,4-7,9H2,(H,20,21)/p-1.
What are the key properties of 4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate?
4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate has a molecular weight of 365.35 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 152770738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).