1-ethyl-N'-(2-fluorophenyl)sulfonyl-2-methylbenzimidazole-5-carbohydrazide

C17H17FN4O3S — CID 2696879

IUPAC1-ethyl-N'-(2-fluorophenyl)sulfonyl-2-methylbenzimidazole-5-carbohydrazide
SMILESCCn1c(C)nc2cc(C(=O)NNS(=O)(=O)c3ccccc3F)ccc21
InChIInChI=1S/C17H17FN4O3S/c1-3-22-11(2)19-14-10-12(8-9-15(14)22)17(23)20-21-26(24,25)16-7-5-4-6-13(16)18/h4-10,21H,3H2,1-2H3,(H,20,23)
InChIKeyNNQRONSDKQWYLT-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.13
Rot. Bonds5

About 1-ethyl-N'-(2-fluorophenyl)sulfonyl-2-methylbenzimidazole-5-carbohydrazide

1-ethyl-N'-(2-fluorophenyl)sulfonyl-2-methylbenzimidazole-5-carbohydrazide (PubChem CID 2696879) has the molecular formula C17H17FN4O3S and a molecular weight of 376.41 g/mol. Its IUPAC name is 1-ethyl-N'-(2-fluorophenyl)sulfonyl-2-methylbenzimidazole-5-carbohydrazide.

Molecular Properties

Compound Name1-ethyl-N'-(2-fluorophenyl)sulfonyl-2-methylbenzimidazole-5-carbohydrazide
PubChem CID2696879
Molecular FormulaC17H17FN4O3S
Molecular Weight376.41 g/mol
Exact Mass376.10
IUPAC Name1-ethyl-N'-(2-fluorophenyl)sulfonyl-2-methylbenzimidazole-5-carbohydrazide
SMILESCCn1c(C)nc2cc(C(=O)NNS(=O)(=O)c3ccccc3F)ccc21
InChIInChI=1S/C17H17FN4O3S/c1-3-22-11(2)19-14-10-12(8-9-15(14)22)17(23)20-21-26(24,25)16-7-5-4-6-13(16)18/h4-10,21H,3H2,1-2H3,(H,20,23)
InChIKeyNNQRONSDKQWYLT-UHFFFAOYSA-N
XLogP2.13
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N'-(2-fluorophenyl)sulfonyl-2-methylbenzimidazole-5-carbohydrazide?
The IUPAC name of 1-ethyl-N'-(2-fluorophenyl)sulfonyl-2-methylbenzimidazole-5-carbohydrazide (CID 2696879) is 1-ethyl-N'-(2-fluorophenyl)sulfonyl-2-methylbenzimidazole-5-carbohydrazide.
What is the SMILES notation for 1-ethyl-N'-(2-fluorophenyl)sulfonyl-2-methylbenzimidazole-5-carbohydrazide?
The canonical SMILES for 1-ethyl-N'-(2-fluorophenyl)sulfonyl-2-methylbenzimidazole-5-carbohydrazide is CCn1c(C)nc2cc(C(=O)NNS(=O)(=O)c3ccccc3F)ccc21.
What is the InChIKey of 1-ethyl-N'-(2-fluorophenyl)sulfonyl-2-methylbenzimidazole-5-carbohydrazide?
The InChIKey is NNQRONSDKQWYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3S/c1-3-22-11(2)19-14-10-12(8-9-15(14)22)17(23)20-21-26(24,25)16-7-5-4-6-13(16)18/h4-10,21H,3H2,1-2H3,(H,20,23).
What are the key properties of 1-ethyl-N'-(2-fluorophenyl)sulfonyl-2-methylbenzimidazole-5-carbohydrazide?
1-ethyl-N'-(2-fluorophenyl)sulfonyl-2-methylbenzimidazole-5-carbohydrazide has a molecular weight of 376.41 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N'-(2-fluorophenyl)sulfonyl-2-methylbenzimidazole-5-carbohydrazide is sourced from PubChem (CID 2696879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).