N,N-diethyl-1-methyl-2-pyridin-2-ylbenzimidazole-5-sulfonamide

C17H20N4O2S — CID 4782700

IUPACN,N-diethyl-1-methyl-2-pyridin-2-ylbenzimidazole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)nc(-c1ccccn1)n2C
InChIInChI=1S/C17H20N4O2S/c1-4-21(5-2)24(22,23)13-9-10-16-15(12-13)19-17(20(16)3)14-8-6-7-11-18-14/h6-12H,4-5H2,1-3H3
InChIKeyLSBSTACAUPCYPE-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.67
Rot. Bonds5

About N,N-diethyl-1-methyl-2-pyridin-2-ylbenzimidazole-5-sulfonamide

N,N-diethyl-1-methyl-2-pyridin-2-ylbenzimidazole-5-sulfonamide (PubChem CID 4782700) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N,N-diethyl-1-methyl-2-pyridin-2-ylbenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1-methyl-2-pyridin-2-ylbenzimidazole-5-sulfonamide
PubChem CID4782700
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN,N-diethyl-1-methyl-2-pyridin-2-ylbenzimidazole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)nc(-c1ccccn1)n2C
InChIInChI=1S/C17H20N4O2S/c1-4-21(5-2)24(22,23)13-9-10-16-15(12-13)19-17(20(16)3)14-8-6-7-11-18-14/h6-12H,4-5H2,1-3H3
InChIKeyLSBSTACAUPCYPE-UHFFFAOYSA-N
XLogP2.67
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-methyl-2-pyridin-2-ylbenzimidazole-5-sulfonamide?
The IUPAC name of N,N-diethyl-1-methyl-2-pyridin-2-ylbenzimidazole-5-sulfonamide (CID 4782700) is N,N-diethyl-1-methyl-2-pyridin-2-ylbenzimidazole-5-sulfonamide.
What is the SMILES notation for N,N-diethyl-1-methyl-2-pyridin-2-ylbenzimidazole-5-sulfonamide?
The canonical SMILES for N,N-diethyl-1-methyl-2-pyridin-2-ylbenzimidazole-5-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(-c1ccccn1)n2C.
What is the InChIKey of N,N-diethyl-1-methyl-2-pyridin-2-ylbenzimidazole-5-sulfonamide?
The InChIKey is LSBSTACAUPCYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-4-21(5-2)24(22,23)13-9-10-16-15(12-13)19-17(20(16)3)14-8-6-7-11-18-14/h6-12H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-1-methyl-2-pyridin-2-ylbenzimidazole-5-sulfonamide?
N,N-diethyl-1-methyl-2-pyridin-2-ylbenzimidazole-5-sulfonamide has a molecular weight of 344.44 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-methyl-2-pyridin-2-ylbenzimidazole-5-sulfonamide is sourced from PubChem (CID 4782700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).