N-[(4-fluorophenyl)methyl]-N-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

C15H14FN3O3S — CID 9464600

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H14FN3O3S/c1-19(9-10-2-4-11(16)5-3-10)23(21,22)12-6-7-13-14(8-12)18-15(20)17-13/h2-8H,9H2,1H3,(H2,17,18,20)
InChIKeyZFQPHFGFBYXCTA-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.82
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-N-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

N-[(4-fluorophenyl)methyl]-N-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 9464600) has the molecular formula C15H14FN3O3S and a molecular weight of 335.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID9464600
Molecular FormulaC15H14FN3O3S
Molecular Weight335.36 g/mol
Exact Mass335.07
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H14FN3O3S/c1-19(9-10-2-4-11(16)5-3-10)23(21,22)12-6-7-13-14(8-12)18-15(20)17-13/h2-8H,9H2,1H3,(H2,17,18,20)
InChIKeyZFQPHFGFBYXCTA-UHFFFAOYSA-N
XLogP1.82
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 9464600) is N-[(4-fluorophenyl)methyl]-N-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is ZFQPHFGFBYXCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3S/c1-19(9-10-2-4-11(16)5-3-10)23(21,22)12-6-7-13-14(8-12)18-15(20)17-13/h2-8H,9H2,1H3,(H2,17,18,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
N-[(4-fluorophenyl)methyl]-N-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 335.36 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 9464600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).