N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide

C19H19F3N4O2S — CID 121108267

IUPACN-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESN#Cc1cccnc1N1CCC(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H19F3N4O2S/c20-19(21,22)16-4-1-5-17(11-16)29(27,28)25-13-14-6-9-26(10-7-14)18-15(12-23)3-2-8-24-18/h1-5,8,11,14,25H,6-7,9-10,13H2
InChIKeyWQDRCKXPPZCDBL-UHFFFAOYSA-N
MW424.45 g/mol
LogP3.17
Rot. Bonds5

About N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide

N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 121108267) has the molecular formula C19H19F3N4O2S and a molecular weight of 424.45 g/mol. Its IUPAC name is N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID121108267
Molecular FormulaC19H19F3N4O2S
Molecular Weight424.45 g/mol
Exact Mass424.12
IUPAC NameN-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESN#Cc1cccnc1N1CCC(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H19F3N4O2S/c20-19(21,22)16-4-1-5-17(11-16)29(27,28)25-13-14-6-9-26(10-7-14)18-15(12-23)3-2-8-24-18/h1-5,8,11,14,25H,6-7,9-10,13H2
InChIKeyWQDRCKXPPZCDBL-UHFFFAOYSA-N
XLogP3.17
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide with MolForge

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Related Compounds

3-chloro-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121108220
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-4-ethylbenzenesulfonamide
CID 121108210
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 72716893
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-methoxybenzenesulfonamide
CID 72716897
4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate
CID 152770738
N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 119104068
3-(benzenesulfonyl)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]propanamide
CID 91812947
2-[4-(cyclopropylmethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 115307500
N-[(3-chlorocyclobutyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 66004822
N-[[(3R)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 94061219
N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]oxamide
CID 73167597
2-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 66879804

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide (CID 121108267) is N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide is N#Cc1cccnc1N1CCC(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is WQDRCKXPPZCDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2S/c20-19(21,22)16-4-1-5-17(11-16)29(27,28)25-13-14-6-9-26(10-7-14)18-15(12-23)3-2-8-24-18/h1-5,8,11,14,25H,6-7,9-10,13H2.
What are the key properties of N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 424.45 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 121108267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).