N-(4-chlorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide

C18H23ClN4O3S — CID 53085540

IUPACN-(4-chlorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C18H23ClN4O3S/c1-13(2)22-11-17(20-12-22)27(25,26)23-9-7-14(8-10-23)18(24)21-16-5-3-15(19)4-6-16/h3-6,11-14H,7-10H2,1-2H3,(H,21,24)
InChIKeyHMXAPRPHXIBGEW-UHFFFAOYSA-N
MW410.93 g/mol
LogP3.16
Rot. Bonds5

About N-(4-chlorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide

N-(4-chlorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 53085540) has the molecular formula C18H23ClN4O3S and a molecular weight of 410.93 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
PubChem CID53085540
Molecular FormulaC18H23ClN4O3S
Molecular Weight410.93 g/mol
Exact Mass410.12
IUPAC NameN-(4-chlorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C18H23ClN4O3S/c1-13(2)22-11-17(20-12-22)27(25,26)23-9-7-14(8-10-23)18(24)21-16-5-3-15(19)4-6-16/h3-6,11-14H,7-10H2,1-2H3,(H,21,24)
InChIKeyHMXAPRPHXIBGEW-UHFFFAOYSA-N
XLogP3.16
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.93
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3,5-dichloro-N-[4-(2-cyanoimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
CID 58509026
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-[ethyl(3-methylphenyl)amino]propyl}-1-(1H-imidazol-4-ylsulfonyl)piperidine-4-carboxamide
CID 3241696
N-{3-[ethyl(phenyl)amino]propyl}-1-(1H-imidazol-4-ylsulfonyl)piperidine-4-carboxamide
CID 3242361
N-{3-[Ethyl(phenyl)amino]propyl}-1-(1H-imidazole-4-sulfonyl)piperidine-3-carboxamide
CID 5307655
1-(1H-imidazol-5-ylsulfonyl)-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide
CID 5308384
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]methanone
CID 5308686
N-{2-[Ethyl(phenyl)amino]ethyl}-1-(1H-imidazole-4-sulfonyl)piperidine-3-carboxamide
CID 5308830
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

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide (CID 53085540) is N-(4-chlorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide is CC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of N-(4-chlorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is HMXAPRPHXIBGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O3S/c1-13(2)22-11-17(20-12-22)27(25,26)23-9-7-14(8-10-23)18(24)21-16-5-3-15(19)4-6-16/h3-6,11-14H,7-10H2,1-2H3,(H,21,24).
What are the key properties of N-(4-chlorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
N-(4-chlorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 410.93 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 53085540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).