N-(1H-benzimidazol-2-ylmethyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide

C20H21FN4O3S — CID 7546016

IUPACN-(1H-benzimidazol-2-ylmethyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H21FN4O3S/c21-15-5-7-16(8-6-15)29(27,28)25-11-9-14(10-12-25)20(26)22-13-19-23-17-3-1-2-4-18(17)24-19/h1-8,14H,9-13H2,(H,22,26)(H,23,24)
InChIKeyPCJXQLXJEBOANB-UHFFFAOYSA-N
MW416.48 g/mol
LogP2.42
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 7546016) has the molecular formula C20H21FN4O3S and a molecular weight of 416.48 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID7546016
Molecular FormulaC20H21FN4O3S
Molecular Weight416.48 g/mol
Exact Mass416.13
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H21FN4O3S/c21-15-5-7-16(8-6-15)29(27,28)25-11-9-14(10-12-25)20(26)22-13-19-23-17-3-1-2-4-18(17)24-19/h1-8,14H,9-13H2,(H,22,26)(H,23,24)
InChIKeyPCJXQLXJEBOANB-UHFFFAOYSA-N
XLogP2.42
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2333186
1-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 2668514
N-(1H-benzimidazol-2-ylmethyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 112791077
N-(1H-benzimidazol-2-ylmethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 71904706
N-(1H-benzimidazol-2-ylmethyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609448
1-(4-fluorophenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 38294766
N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-4-fluorobenzamide
CID 16802929
N-(1H-benzimidazol-2-ylmethyl)-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 36515812
1-(4-fluorophenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 27052613
N-(1H-benzimidazol-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 2547545
1-(4-fluorophenyl)sulfonyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 49083017
N-(1H-benzimidazol-2-ylmethyl)-2-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 5007887

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide (CID 7546016) is N-(1H-benzimidazol-2-ylmethyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide is O=C(NCc1nc2ccccc2[nH]1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is PCJXQLXJEBOANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3S/c21-15-5-7-16(8-6-15)29(27,28)25-11-9-14(10-12-25)20(26)22-13-19-23-17-3-1-2-4-18(17)24-19/h1-8,14H,9-13H2,(H,22,26)(H,23,24).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 7546016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).