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

C18H23ClN4O3S — CID 53085539

IUPACN-(3-chlorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C18H23ClN4O3S/c1-13(2)22-11-17(20-12-22)27(25,26)23-8-6-14(7-9-23)18(24)21-16-5-3-4-15(19)10-16/h3-5,10-14H,6-9H2,1-2H3,(H,21,24)
InChIKeyOGZRFMSSLIKLSJ-UHFFFAOYSA-N
MW410.93 g/mol
LogP3.16
Rot. Bonds5

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

N-(3-chlorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 53085539) has the molecular formula C18H23ClN4O3S and a molecular weight of 410.93 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
PubChem CID53085539
Molecular FormulaC18H23ClN4O3S
Molecular Weight410.93 g/mol
Exact Mass410.12
IUPAC NameN-(3-chlorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C18H23ClN4O3S/c1-13(2)22-11-17(20-12-22)27(25,26)23-8-6-14(7-9-23)18(24)21-16-5-3-4-15(19)10-16/h3-5,10-14H,6-9H2,1-2H3,(H,21,24)
InChIKeyOGZRFMSSLIKLSJ-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

N-(3-fluoro-4-methylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085593
N-(4-ethylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085553
N-(3-methylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 53085777
N-(3-bromophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 53085780
N-[(4-chlorophenyl)methyl]-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085542
ethyl 4-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carbonyl]amino]benzoate
CID 53085575
(3S)-1-(1-propan-2-ylimidazol-4-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 95073445
N-(2-chloro-4,6-dimethoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085613
1-(2,5-dichlorophenyl)sulfonyl-N-[3-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide
CID 39131366
(3R)-N-[3-(1,2-oxazol-5-yl)phenyl]-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 95073584
N-(2-phenylpropyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085590
(3R)-N-(3-fluoro-4-methylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 95073543

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide (CID 53085539) is N-(3-chlorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide is CC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(Cl)c3)CC2)c1.
What is the InChIKey of N-(3-chlorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is OGZRFMSSLIKLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O3S/c1-13(2)22-11-17(20-12-22)27(25,26)23-8-6-14(7-9-23)18(24)21-16-5-3-4-15(19)10-16/h3-5,10-14H,6-9H2,1-2H3,(H,21,24).
What are the key properties of N-(3-chlorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
N-(3-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-(3-chlorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 53085539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).