2-[(2S)-1-pyridin-3-ylsulfonylpiperidin-2-yl]-1H-benzimidazole

C17H18N4O2S — CID 95828932

IUPAC2-[(2S)-1-pyridin-3-ylsulfonylpiperidin-2-yl]-1H-benzimidazole
SMILESO=S(=O)(c1cccnc1)N1CCCC[C@H]1c1nc2ccccc2[nH]1
InChIInChI=1S/C17H18N4O2S/c22-24(23,13-6-5-10-18-12-13)21-11-4-3-9-16(21)17-19-14-7-1-2-8-15(14)20-17/h1-2,5-8,10,12,16H,3-4,9,11H2,(H,19,20)/t16-/m0/s1
InChIKeyYQHCNNKYJZFKJN-INIZCTEOSA-N
MW342.42 g/mol
LogP2.87
Rot. Bonds3

About 2-[(2S)-1-pyridin-3-ylsulfonylpiperidin-2-yl]-1H-benzimidazole

2-[(2S)-1-pyridin-3-ylsulfonylpiperidin-2-yl]-1H-benzimidazole (PubChem CID 95828932) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-[(2S)-1-pyridin-3-ylsulfonylpiperidin-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2S)-1-pyridin-3-ylsulfonylpiperidin-2-yl]-1H-benzimidazole
PubChem CID95828932
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2-[(2S)-1-pyridin-3-ylsulfonylpiperidin-2-yl]-1H-benzimidazole
SMILESO=S(=O)(c1cccnc1)N1CCCC[C@H]1c1nc2ccccc2[nH]1
InChIInChI=1S/C17H18N4O2S/c22-24(23,13-6-5-10-18-12-13)21-11-4-3-9-16(21)17-19-14-7-1-2-8-15(14)20-17/h1-2,5-8,10,12,16H,3-4,9,11H2,(H,19,20)/t16-/m0/s1
InChIKeyYQHCNNKYJZFKJN-INIZCTEOSA-N
XLogP2.87
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-pyrimidin-5-ylphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole
CID 171916398
2-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-2-yl]-1H-benzimidazole
CID 40920952
2-[(2S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole
CID 40920974
2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole
CID 51278456
1-pyridin-3-ylsulfonylpiperidine-2-carboxylic acid
CID 24708710
3-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyridine
CID 110271118
2-[1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole
CID 55681666
propyl 4-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]sulfonylbenzoate
CID 86886087
3-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]sulfonylpyridine
CID 87052217
1-(1-pyridin-3-ylsulfonylpiperidin-2-yl)propan-2-ol
CID 79538362
[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
CID 91820880
2-[(2S)-1-[(2S)-2-methylbutyl]sulfonylpyrrolidin-2-yl]-1H-benzimidazole
CID 129424088

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-pyridin-3-ylsulfonylpiperidin-2-yl]-1H-benzimidazole?
The IUPAC name of 2-[(2S)-1-pyridin-3-ylsulfonylpiperidin-2-yl]-1H-benzimidazole (CID 95828932) is 2-[(2S)-1-pyridin-3-ylsulfonylpiperidin-2-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[(2S)-1-pyridin-3-ylsulfonylpiperidin-2-yl]-1H-benzimidazole?
The canonical SMILES for 2-[(2S)-1-pyridin-3-ylsulfonylpiperidin-2-yl]-1H-benzimidazole is O=S(=O)(c1cccnc1)N1CCCC[C@H]1c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[(2S)-1-pyridin-3-ylsulfonylpiperidin-2-yl]-1H-benzimidazole?
The InChIKey is YQHCNNKYJZFKJN-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18N4O2S/c22-24(23,13-6-5-10-18-12-13)21-11-4-3-9-16(21)17-19-14-7-1-2-8-15(14)20-17/h1-2,5-8,10,12,16H,3-4,9,11H2,(H,19,20)/t16-/m0/s1.
What are the key properties of 2-[(2S)-1-pyridin-3-ylsulfonylpiperidin-2-yl]-1H-benzimidazole?
2-[(2S)-1-pyridin-3-ylsulfonylpiperidin-2-yl]-1H-benzimidazole has a molecular weight of 342.42 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-pyridin-3-ylsulfonylpiperidin-2-yl]-1H-benzimidazole is sourced from PubChem (CID 95828932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).