2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-1H-benzimidazole

C18H18ClN3O2S — CID 110404146

IUPAC2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-1H-benzimidazole
SMILESO=S(=O)(c1ccccc1Cl)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C18H18ClN3O2S/c19-14-7-1-4-10-17(14)25(23,24)22-11-5-6-13(12-22)18-20-15-8-2-3-9-16(15)21-18/h1-4,7-10,13H,5-6,11-12H2,(H,20,21)
InChIKeyHRJHEDGHLMYEME-UHFFFAOYSA-N
MW375.88 g/mol
LogP3.78
Rot. Bonds3

About 2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-1H-benzimidazole

2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-1H-benzimidazole (PubChem CID 110404146) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-1H-benzimidazole
PubChem CID110404146
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC Name2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-1H-benzimidazole
SMILESO=S(=O)(c1ccccc1Cl)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C18H18ClN3O2S/c19-14-7-1-4-10-17(14)25(23,24)22-11-5-6-13(12-22)18-20-15-8-2-3-9-16(15)21-18/h1-4,7-10,13H,5-6,11-12H2,(H,20,21)
InChIKeyHRJHEDGHLMYEME-UHFFFAOYSA-N
XLogP3.78
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylquinoline
CID 91946901
2-[(3R)-1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperidin-3-yl]-1H-benzimidazole
CID 51596047
2-(1-benzylsulfonylpiperidin-3-yl)-1H-benzimidazole
CID 91946903
3-(1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-sulfonamide
CID 42936634
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-piperidin-1-ylsulfonylthiophen-2-yl)methanone
CID 55497694
2-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-1H-benzimidazole
CID 18148631
2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole
CID 113088723
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one
CID 55483571
2-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]-1H-benzimidazole
CID 110404129
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one
CID 46684083
2-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 18268675
2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 18575330

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-1H-benzimidazole (CID 110404146) is 2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-1H-benzimidazole is O=S(=O)(c1ccccc1Cl)N1CCCC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of 2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-1H-benzimidazole?
The InChIKey is HRJHEDGHLMYEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2S/c19-14-7-1-4-10-17(14)25(23,24)22-11-5-6-13(12-22)18-20-15-8-2-3-9-16(15)21-18/h1-4,7-10,13H,5-6,11-12H2,(H,20,21).
What are the key properties of 2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-1H-benzimidazole?
2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-1H-benzimidazole has a molecular weight of 375.88 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-1H-benzimidazole is sourced from PubChem (CID 110404146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).