3-(1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-sulfonamide

C16H24N4O2S — CID 42936634

IUPAC3-(1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C16H24N4O2S/c1-3-19(4-2)23(21,22)20-11-7-8-13(12-20)16-17-14-9-5-6-10-15(14)18-16/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3,(H,17,18)
InChIKeyWWTAGFDECRBSIM-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.33
Rot. Bonds5

About 3-(1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-sulfonamide

3-(1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-sulfonamide (PubChem CID 42936634) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-sulfonamide
PubChem CID42936634
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name3-(1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C16H24N4O2S/c1-3-19(4-2)23(21,22)20-11-7-8-13(12-20)16-17-14-9-5-6-10-15(14)18-16/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3,(H,17,18)
InChIKeyWWTAGFDECRBSIM-UHFFFAOYSA-N
XLogP2.33
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzylsulfonylpiperidin-3-yl)-1H-benzimidazole
CID 91946903
6-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N,N-diethylpyridine-3-sulfonamide
CID 24606904
2-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]-1H-benzimidazole
CID 110404129
2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-1H-benzimidazole
CID 110404146
2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole
CID 4626342
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N,N-diethyl-5-nitrobenzenesulfonamide
CID 41037941
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-(azepan-1-ylsulfonyl)piperidin-4-yl]-1H-benzimidazole
CID 18148631
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 94811323
methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-sulfonamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-sulfonamide (CID 42936634) is 3-(1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-sulfonamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-sulfonamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCCC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-sulfonamide?
The InChIKey is WWTAGFDECRBSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-3-19(4-2)23(21,22)20-11-7-8-13(12-20)16-17-14-9-5-6-10-15(14)18-16/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3,(H,17,18).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-sulfonamide?
3-(1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-sulfonamide has a molecular weight of 336.46 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-sulfonamide is sourced from PubChem (CID 42936634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).