6-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N,N-diethylpyridine-3-sulfonamide

C21H27N5O2S — CID 24606904

IUPAC6-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCC(c3nc4ccccc4[nH]3)C2)nc1
InChIInChI=1S/C21H27N5O2S/c1-3-26(4-2)29(27,28)17-11-12-20(22-14-17)25-13-7-8-16(15-25)21-23-18-9-5-6-10-19(18)24-21/h5-6,9-12,14,16H,3-4,7-8,13,15H2,1-2H3,(H,23,24)
InChIKeyRYIWEIKYDVFARN-UHFFFAOYSA-N
MW413.55 g/mol
LogP3.37
Rot. Bonds6

About 6-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N,N-diethylpyridine-3-sulfonamide

6-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N,N-diethylpyridine-3-sulfonamide (PubChem CID 24606904) has the molecular formula C21H27N5O2S and a molecular weight of 413.55 g/mol. Its IUPAC name is 6-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N,N-diethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N,N-diethylpyridine-3-sulfonamide
PubChem CID24606904
Molecular FormulaC21H27N5O2S
Molecular Weight413.55 g/mol
Exact Mass413.19
IUPAC Name6-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCC(c3nc4ccccc4[nH]3)C2)nc1
InChIInChI=1S/C21H27N5O2S/c1-3-26(4-2)29(27,28)17-11-12-20(22-14-17)25-13-7-8-16(15-25)21-23-18-9-5-6-10-19(18)24-21/h5-6,9-12,14,16H,3-4,7-8,13,15H2,1-2H3,(H,23,24)
InChIKeyRYIWEIKYDVFARN-UHFFFAOYSA-N
XLogP3.37
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.55
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-sulfonamide
CID 42936634
2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N,N-diethyl-5-nitrobenzenesulfonamide
CID 41037941
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
(3R)-1-[5-(diethylsulfamoyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 94434130
N,N-diethyl-6-(4-methylsulfonylpiperazin-1-yl)pyridine-3-sulfonamide
CID 24525934
6-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N,N-diethylpyridine-3-sulfonamide
CID 8008460
N-[2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-bromo-N-methylbenzenesulfonamide
CID 46492749
2-(1-benzylsulfonylpiperidin-3-yl)-1H-benzimidazole
CID 91946903
2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole
CID 4626342
4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-[2-(dimethylamino)ethyl]-3-nitrobenzenesulfonamide
CID 55503001
4-[(3R)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N-[(2S)-butan-2-yl]benzenesulfonamide
CID 25352191
N,N-diethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide
CID 4877422

Frequently Asked Questions

What is the IUPAC name of 6-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N,N-diethylpyridine-3-sulfonamide?
The IUPAC name of 6-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N,N-diethylpyridine-3-sulfonamide (CID 24606904) is 6-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N,N-diethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N,N-diethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N,N-diethylpyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(N2CCCC(c3nc4ccccc4[nH]3)C2)nc1.
What is the InChIKey of 6-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N,N-diethylpyridine-3-sulfonamide?
The InChIKey is RYIWEIKYDVFARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2S/c1-3-26(4-2)29(27,28)17-11-12-20(22-14-17)25-13-7-8-16(15-25)21-23-18-9-5-6-10-19(18)24-21/h5-6,9-12,14,16H,3-4,7-8,13,15H2,1-2H3,(H,23,24).
What are the key properties of 6-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N,N-diethylpyridine-3-sulfonamide?
6-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N,N-diethylpyridine-3-sulfonamide has a molecular weight of 413.55 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N,N-diethylpyridine-3-sulfonamide is sourced from PubChem (CID 24606904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).