N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide

C23H24ClFN4O3S — CID 27034480

IUPACN-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
SMILESCn1ccnc1[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C23H24ClFN4O3S/c1-28-14-11-26-22(28)21(16-5-8-18(24)9-6-16)27-23(30)17-7-10-19(25)20(15-17)33(31,32)29-12-3-2-4-13-29/h5-11,14-15,21H,2-4,12-13H2,1H3,(H,27,30)/t21-/m1/s1
InChIKeyWLGPDRQKKRULOA-OAQYLSRUSA-N
MW490.99 g/mol
LogP3.91
Rot. Bonds6

About N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide

N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 27034480) has the molecular formula C23H24ClFN4O3S and a molecular weight of 490.99 g/mol. Its IUPAC name is N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
PubChem CID27034480
Molecular FormulaC23H24ClFN4O3S
Molecular Weight490.99 g/mol
Exact Mass490.12
IUPAC NameN-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
SMILESCn1ccnc1[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C23H24ClFN4O3S/c1-28-14-11-26-22(28)21(16-5-8-18(24)9-6-16)27-23(30)17-7-10-19(25)20(15-17)33(31,32)29-12-3-2-4-13-29/h5-11,14-15,21H,2-4,12-13H2,1H3,(H,27,30)/t21-/m1/s1
InChIKeyWLGPDRQKKRULOA-OAQYLSRUSA-N
XLogP3.91
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.99
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 25342034
4-fluoro-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 42924351
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide
CID 25334099
3,5-dichloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46512997
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55633450
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-diethoxybenzamide
CID 27034467
N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 25406465
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 25390628
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 27034422
(2S)-2-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
CID 27262140
(3R)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 39724956
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 42924134

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide (CID 27034480) is N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide is Cn1ccnc1[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is WLGPDRQKKRULOA-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H24ClFN4O3S/c1-28-14-11-26-22(28)21(16-5-8-18(24)9-6-16)27-23(30)17-7-10-19(25)20(15-17)33(31,32)29-12-3-2-4-13-29/h5-11,14-15,21H,2-4,12-13H2,1H3,(H,27,30)/t21-/m1/s1.
What are the key properties of N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 490.99 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 27034480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).