6-(5,6-dimethylbenzimidazol-1-yl)-N,N-diethylpyridine-3-sulfonamide

C18H22N4O2S — CID 8934377

IUPAC6-(5,6-dimethylbenzimidazol-1-yl)-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-n2cnc3cc(C)c(C)cc32)nc1
InChIInChI=1S/C18H22N4O2S/c1-5-21(6-2)25(23,24)15-7-8-18(19-11-15)22-12-20-16-9-13(3)14(4)10-17(16)22/h7-12H,5-6H2,1-4H3
InChIKeyHNMGOHXWAAKYCL-UHFFFAOYSA-N
MW358.47 g/mol
LogP3.07
Rot. Bonds5

About 6-(5,6-dimethylbenzimidazol-1-yl)-N,N-diethylpyridine-3-sulfonamide

6-(5,6-dimethylbenzimidazol-1-yl)-N,N-diethylpyridine-3-sulfonamide (PubChem CID 8934377) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 6-(5,6-dimethylbenzimidazol-1-yl)-N,N-diethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(5,6-dimethylbenzimidazol-1-yl)-N,N-diethylpyridine-3-sulfonamide
PubChem CID8934377
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name6-(5,6-dimethylbenzimidazol-1-yl)-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-n2cnc3cc(C)c(C)cc32)nc1
InChIInChI=1S/C18H22N4O2S/c1-5-21(6-2)25(23,24)15-7-8-18(19-11-15)22-12-20-16-9-13(3)14(4)10-17(16)22/h7-12H,5-6H2,1-4H3
InChIKeyHNMGOHXWAAKYCL-UHFFFAOYSA-N
XLogP3.07
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5,6-dimethylbenzimidazol-1-yl)-N,N-diethylpyridine-3-sulfonamide?
The IUPAC name of 6-(5,6-dimethylbenzimidazol-1-yl)-N,N-diethylpyridine-3-sulfonamide (CID 8934377) is 6-(5,6-dimethylbenzimidazol-1-yl)-N,N-diethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(5,6-dimethylbenzimidazol-1-yl)-N,N-diethylpyridine-3-sulfonamide?
The canonical SMILES for 6-(5,6-dimethylbenzimidazol-1-yl)-N,N-diethylpyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(-n2cnc3cc(C)c(C)cc32)nc1.
What is the InChIKey of 6-(5,6-dimethylbenzimidazol-1-yl)-N,N-diethylpyridine-3-sulfonamide?
The InChIKey is HNMGOHXWAAKYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-5-21(6-2)25(23,24)15-7-8-18(19-11-15)22-12-20-16-9-13(3)14(4)10-17(16)22/h7-12H,5-6H2,1-4H3.
What are the key properties of 6-(5,6-dimethylbenzimidazol-1-yl)-N,N-diethylpyridine-3-sulfonamide?
6-(5,6-dimethylbenzimidazol-1-yl)-N,N-diethylpyridine-3-sulfonamide has a molecular weight of 358.47 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6-dimethylbenzimidazol-1-yl)-N,N-diethylpyridine-3-sulfonamide is sourced from PubChem (CID 8934377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).