N-(2-ethyl-3H-benzimidazol-5-yl)butane-1-sulfonamide

C13H19N3O2S — CID 110779021

IUPACN-(2-ethyl-3H-benzimidazol-5-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc2nc(CC)[nH]c2c1
InChIInChI=1S/C13H19N3O2S/c1-3-5-8-19(17,18)16-10-6-7-11-12(9-10)15-13(4-2)14-11/h6-7,9,16H,3-5,8H2,1-2H3,(H,14,15)
InChIKeyFFIQFMVIOMWEOC-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.67
Rot. Bonds6

About N-(2-ethyl-3H-benzimidazol-5-yl)butane-1-sulfonamide

N-(2-ethyl-3H-benzimidazol-5-yl)butane-1-sulfonamide (PubChem CID 110779021) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(2-ethyl-3H-benzimidazol-5-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-ethyl-3H-benzimidazol-5-yl)butane-1-sulfonamide
PubChem CID110779021
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-(2-ethyl-3H-benzimidazol-5-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc2nc(CC)[nH]c2c1
InChIInChI=1S/C13H19N3O2S/c1-3-5-8-19(17,18)16-10-6-7-11-12(9-10)15-13(4-2)14-11/h6-7,9,16H,3-5,8H2,1-2H3,(H,14,15)
InChIKeyFFIQFMVIOMWEOC-UHFFFAOYSA-N
XLogP2.67
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indol-6-yl)butane-1-sulfonamide
CID 110730847
N-(2-methyl-3H-benzimidazol-5-yl)ethanesulfonamide
CID 64584356
2-ethyl-6-[(2-ethyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
CID 139799496
2-ethyl-3H-benzimidazole-5-sulfonamide
CID 60649079
1-bromo-N-(2-methyl-3H-benzimidazol-5-yl)methanesulfonamide
CID 83084672
(2-ethyl-3H-benzimidazol-5-yl)methanesulfonic acid
CID 175304465
N-(4-oxo-3H-quinazolin-6-yl)heptane-1-sulfonamide
CID 136574524
N-(1,2-dimethylbenzimidazol-5-yl)butane-1-sulfonamide
CID 110779248
2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-3H-benzimidazol-5-yl)acetamide
CID 110778994
N-(2-ethyl-3H-benzimidazol-5-yl)-3-(methylamino)propanamide
CID 96675307
N-(2-methyl-1,3-benzothiazol-5-yl)dodecane-1-sulfonamide
CID 59079299
N-(3-hydroxy-4-methylphenyl)butane-1-sulfonamide
CID 64794580

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-3H-benzimidazol-5-yl)butane-1-sulfonamide?
The IUPAC name of N-(2-ethyl-3H-benzimidazol-5-yl)butane-1-sulfonamide (CID 110779021) is N-(2-ethyl-3H-benzimidazol-5-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(2-ethyl-3H-benzimidazol-5-yl)butane-1-sulfonamide?
The canonical SMILES for N-(2-ethyl-3H-benzimidazol-5-yl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc2nc(CC)[nH]c2c1.
What is the InChIKey of N-(2-ethyl-3H-benzimidazol-5-yl)butane-1-sulfonamide?
The InChIKey is FFIQFMVIOMWEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-3-5-8-19(17,18)16-10-6-7-11-12(9-10)15-13(4-2)14-11/h6-7,9,16H,3-5,8H2,1-2H3,(H,14,15).
What are the key properties of N-(2-ethyl-3H-benzimidazol-5-yl)butane-1-sulfonamide?
N-(2-ethyl-3H-benzimidazol-5-yl)butane-1-sulfonamide has a molecular weight of 281.38 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-3H-benzimidazol-5-yl)butane-1-sulfonamide is sourced from PubChem (CID 110779021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).