N-(3-fluorophenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide

C15H17FN4O3S — CID 20856425

IUPACN-(3-fluorophenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C15H17FN4O3S/c16-12-2-1-3-13(8-12)19-15(21)11-4-6-20(7-5-11)24(22,23)14-9-17-10-18-14/h1-3,8-11H,4-7H2,(H,17,18)(H,19,21)
InChIKeyRGVWPYMULOKIHF-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.59
Rot. Bonds4

About N-(3-fluorophenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide

N-(3-fluorophenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide (PubChem CID 20856425) has the molecular formula C15H17FN4O3S and a molecular weight of 352.39 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide
PubChem CID20856425
Molecular FormulaC15H17FN4O3S
Molecular Weight352.39 g/mol
Exact Mass352.10
IUPAC NameN-(3-fluorophenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C15H17FN4O3S/c16-12-2-1-3-13(8-12)19-15(21)11-4-6-20(7-5-11)24(22,23)14-9-17-10-18-14/h1-3,8-11H,4-7H2,(H,17,18)(H,19,21)
InChIKeyRGVWPYMULOKIHF-UHFFFAOYSA-N
XLogP1.59
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-imidazol-5-ylsulfonyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
CID 20856442
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26086523
N-(3-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 24638911
1-(1H-imidazol-5-ylsulfonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 20856408
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanone
CID 20856447
1-(4-fluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 1078408
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26578999
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 53075975
1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide
CID 24687006
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 1243579
N-(3-bromophenyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 46823369
1-(4-fluorophenyl)sulfonyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide
CID 8802762

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide (CID 20856425) is N-(3-fluorophenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide is O=C(Nc1cccc(F)c1)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1.
What is the InChIKey of N-(3-fluorophenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide?
The InChIKey is RGVWPYMULOKIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O3S/c16-12-2-1-3-13(8-12)19-15(21)11-4-6-20(7-5-11)24(22,23)14-9-17-10-18-14/h1-3,8-11H,4-7H2,(H,17,18)(H,19,21).
What are the key properties of N-(3-fluorophenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide?
N-(3-fluorophenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 20856425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).