N,N-diethyl-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxamide

C16H23FN2O3S — CID 23992171

IUPACN,N-diethyl-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(S(=O)(=O)c2cccc(F)c2)C1
InChIInChI=1S/C16H23FN2O3S/c1-3-18(4-2)16(20)13-7-6-10-19(12-13)23(21,22)15-9-5-8-14(17)11-15/h5,8-9,11,13H,3-4,6-7,10,12H2,1-2H3
InChIKeyGROGMWYCXZYRBU-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.09
Rot. Bonds5

About N,N-diethyl-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxamide

N,N-diethyl-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 23992171) has the molecular formula C16H23FN2O3S and a molecular weight of 342.44 g/mol. Its IUPAC name is N,N-diethyl-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxamide
PubChem CID23992171
Molecular FormulaC16H23FN2O3S
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC NameN,N-diethyl-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(S(=O)(=O)c2cccc(F)c2)C1
InChIInChI=1S/C16H23FN2O3S/c1-3-18(4-2)16(20)13-7-6-10-19(12-13)23(21,22)15-9-5-8-14(17)11-15/h5,8-9,11,13H,3-4,6-7,10,12H2,1-2H3
InChIKeyGROGMWYCXZYRBU-UHFFFAOYSA-N
XLogP2.09
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-fluorophenyl)sulfonyl-N,N-diethylpiperidine-3-carboxamide
CID 3846784
(3R)-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 40639359
ethyl (3S)-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxylate
CID 81307363
N,N-diethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3863405
2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]acetic acid
CID 53211439
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 55413326
(3S)-1-(2,5-dimethylphenyl)sulfonyl-N,N-diethylpiperidine-3-carboxamide
CID 100780184
N-ethyl-1-(4-fluorophenyl)sulfonyl-N-phenylpiperidine-3-carboxamide
CID 18089319
N-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]acetamide
CID 47304951
3-(chloromethyl)-1-(3-fluorophenyl)sulfonylpiperidine
CID 63397711
N-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
CID 18148402
2,3-dihydroindol-1-yl-[(3S)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]methanone
CID 1445023

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N,N-diethyl-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxamide (CID 23992171) is N,N-diethyl-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(S(=O)(=O)c2cccc(F)c2)C1.
What is the InChIKey of N,N-diethyl-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is GROGMWYCXZYRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3S/c1-3-18(4-2)16(20)13-7-6-10-19(12-13)23(21,22)15-9-5-8-14(17)11-15/h5,8-9,11,13H,3-4,6-7,10,12H2,1-2H3.
What are the key properties of N,N-diethyl-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxamide?
N,N-diethyl-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 23992171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).