N-(3-chloro-4-fluorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide

C18H22ClFN4O3S — CID 53085594

IUPACN-(3-chloro-4-fluorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c1
InChIInChI=1S/C18H22ClFN4O3S/c1-12(2)23-10-17(21-11-23)28(26,27)24-7-5-13(6-8-24)18(25)22-14-3-4-16(20)15(19)9-14/h3-4,9-13H,5-8H2,1-2H3,(H,22,25)
InChIKeyWFNMKQIIQJSPRZ-UHFFFAOYSA-N
MW428.92 g/mol
LogP3.30
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide

N-(3-chloro-4-fluorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 53085594) has the molecular formula C18H22ClFN4O3S and a molecular weight of 428.92 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
PubChem CID53085594
Molecular FormulaC18H22ClFN4O3S
Molecular Weight428.92 g/mol
Exact Mass428.11
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c1
InChIInChI=1S/C18H22ClFN4O3S/c1-12(2)23-10-17(21-11-23)28(26,27)24-7-5-13(6-8-24)18(25)22-14-3-4-16(20)15(19)9-14/h3-4,9-13H,5-8H2,1-2H3,(H,22,25)
InChIKeyWFNMKQIIQJSPRZ-UHFFFAOYSA-N
XLogP3.30
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3,5-dichloro-N-[4-(2-chloroimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
CID 58509147
N-(3-chlorophenyl)-4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-amine
CID 90404585
N-(3-chlorophenyl)-4-(2-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-amine
CID 90405229
N-(3-chlorophenyl)-4-(3-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-amine
CID 90405719
N-{3-[ethyl(phenyl)amino]propyl}-1-(1H-imidazol-4-ylsulfonyl)piperidine-4-carboxamide
CID 3242361
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]methanone
CID 5308686
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-1-(1H-imidazol-4-ylsulfonyl)piperidine-3-carboxamide
CID 5309184
N-(3-Chloro-2-methylphenyl)-2-[4-(pyrrolidine-1-sulfonyl)-1H-imidazol-1-YL]acetamide
CID 16027143
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-piperidinecarboxamide
CID 16027931
1-(4-chlorophenyl)-4-({1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-yl}carbonyl)piperazine
CID 16027953
N-methyl-1-(1-methylimidazol-4-yl)sulfonyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 16028043
N-{[4-(Dimethylamino)phenyl]methyl}-1-[(1-methyl-1H-imidazol-4-YL)sulfonyl]piperidine-4-carboxamide
CID 16028052

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide (CID 53085594) is N-(3-chloro-4-fluorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide is CC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is WFNMKQIIQJSPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClFN4O3S/c1-12(2)23-10-17(21-11-23)28(26,27)24-7-5-13(6-8-24)18(25)22-14-3-4-16(20)15(19)9-14/h3-4,9-13H,5-8H2,1-2H3,(H,22,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 428.92 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 53085594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).