N-ethyl-N-phenyl-3H-benzimidazole-5-sulfonamide

C15H15N3O2S — CID 110760013

IUPACN-ethyl-N-phenyl-3H-benzimidazole-5-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H15N3O2S/c1-2-18(12-6-4-3-5-7-12)21(19,20)13-8-9-14-15(10-13)17-11-16-14/h3-11H,2H2,1H3,(H,16,17)
InChIKeyOXSLFPKFNURSHB-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.78
Rot. Bonds4

About N-ethyl-N-phenyl-3H-benzimidazole-5-sulfonamide

N-ethyl-N-phenyl-3H-benzimidazole-5-sulfonamide (PubChem CID 110760013) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-ethyl-N-phenyl-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-phenyl-3H-benzimidazole-5-sulfonamide
PubChem CID110760013
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-ethyl-N-phenyl-3H-benzimidazole-5-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H15N3O2S/c1-2-18(12-6-4-3-5-7-12)21(19,20)13-8-9-14-15(10-13)17-11-16-14/h3-11H,2H2,1H3,(H,16,17)
InChIKeyOXSLFPKFNURSHB-UHFFFAOYSA-N
XLogP2.78
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3H-benzimidazole-5-sulfonamide
CID 68763718
N-ethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide
CID 100820451
N-ethyl-6-oxo-N-phenyl-1H-pyridine-3-sulfonamide
CID 829830
4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide
CID 26951667
6-[ethyl(phenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid
CID 3513999
N,N-diethyl-3H-benzimidazole-5-sulfonamide;heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne
CID 160893165
3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide
CID 3859745
N-ethyl-3,4-dimethoxy-N-phenylbenzenesulfonamide
CID 769001
N-ethyl-4-nitro-N-phenylbenzenesulfonamide
CID 779735
N-ethyl-6-methoxy-N-phenylpyridine-3-sulfonamide
CID 5268434
3-(3H-benzimidazol-5-yl)-1-ethyl-1-phenylurea
CID 108885872
N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-sulfonamide
CID 131933234

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-ethyl-N-phenyl-3H-benzimidazole-5-sulfonamide (CID 110760013) is N-ethyl-N-phenyl-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-ethyl-N-phenyl-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-ethyl-N-phenyl-3H-benzimidazole-5-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-ethyl-N-phenyl-3H-benzimidazole-5-sulfonamide?
The InChIKey is OXSLFPKFNURSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-2-18(12-6-4-3-5-7-12)21(19,20)13-8-9-14-15(10-13)17-11-16-14/h3-11H,2H2,1H3,(H,16,17).
What are the key properties of N-ethyl-N-phenyl-3H-benzimidazole-5-sulfonamide?
N-ethyl-N-phenyl-3H-benzimidazole-5-sulfonamide has a molecular weight of 301.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 110760013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).