N-(4-fluorophenyl)sulfonyl-1-methylbenzimidazole-5-carboxamide

C15H12FN3O3S — CID 84596903

IUPACN-(4-fluorophenyl)sulfonyl-1-methylbenzimidazole-5-carboxamide
SMILESCn1cnc2cc(C(=O)NS(=O)(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C15H12FN3O3S/c1-19-9-17-13-8-10(2-7-14(13)19)15(20)18-23(21,22)12-5-3-11(16)4-6-12/h2-9H,1H3,(H,18,20)
InChIKeyMKTAQEMUBOOYFH-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.83
Rot. Bonds3

About N-(4-fluorophenyl)sulfonyl-1-methylbenzimidazole-5-carboxamide

N-(4-fluorophenyl)sulfonyl-1-methylbenzimidazole-5-carboxamide (PubChem CID 84596903) has the molecular formula C15H12FN3O3S and a molecular weight of 333.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)sulfonyl-1-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)sulfonyl-1-methylbenzimidazole-5-carboxamide
PubChem CID84596903
Molecular FormulaC15H12FN3O3S
Molecular Weight333.34 g/mol
Exact Mass333.06
IUPAC NameN-(4-fluorophenyl)sulfonyl-1-methylbenzimidazole-5-carboxamide
SMILESCn1cnc2cc(C(=O)NS(=O)(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C15H12FN3O3S/c1-19-9-17-13-8-10(2-7-14(13)19)15(20)18-23(21,22)12-5-3-11(16)4-6-12/h2-9H,1H3,(H,18,20)
InChIKeyMKTAQEMUBOOYFH-UHFFFAOYSA-N
XLogP1.83
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)sulfonyl-1-methylbenzimidazole-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)sulfonyl-1-methylbenzimidazole-5-carboxamide (CID 84596903) is N-(4-fluorophenyl)sulfonyl-1-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)sulfonyl-1-methylbenzimidazole-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)sulfonyl-1-methylbenzimidazole-5-carboxamide is Cn1cnc2cc(C(=O)NS(=O)(=O)c3ccc(F)cc3)ccc21.
What is the InChIKey of N-(4-fluorophenyl)sulfonyl-1-methylbenzimidazole-5-carboxamide?
The InChIKey is MKTAQEMUBOOYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3S/c1-19-9-17-13-8-10(2-7-14(13)19)15(20)18-23(21,22)12-5-3-11(16)4-6-12/h2-9H,1H3,(H,18,20).
What are the key properties of N-(4-fluorophenyl)sulfonyl-1-methylbenzimidazole-5-carboxamide?
N-(4-fluorophenyl)sulfonyl-1-methylbenzimidazole-5-carboxamide has a molecular weight of 333.34 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)sulfonyl-1-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 84596903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).