1-(4-fluorophenyl)-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]methanesulfonamide

C16H16FN3O3S — CID 110791251

IUPAC1-(4-fluorophenyl)-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]methanesulfonamide
SMILESO=c1[nH]c2ccc(CCNS(=O)(=O)Cc3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C16H16FN3O3S/c17-13-4-1-12(2-5-13)10-24(22,23)18-8-7-11-3-6-14-15(9-11)20-16(21)19-14/h1-6,9,18H,7-8,10H2,(H2,19,20,21)
InChIKeyFEYWEMACDLEEGO-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.66
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]methanesulfonamide

1-(4-fluorophenyl)-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]methanesulfonamide (PubChem CID 110791251) has the molecular formula C16H16FN3O3S and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]methanesulfonamide
PubChem CID110791251
Molecular FormulaC16H16FN3O3S
Molecular Weight349.39 g/mol
Exact Mass349.09
IUPAC Name1-(4-fluorophenyl)-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]methanesulfonamide
SMILESO=c1[nH]c2ccc(CCNS(=O)(=O)Cc3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C16H16FN3O3S/c17-13-4-1-12(2-5-13)10-24(22,23)18-8-7-11-3-6-14-15(9-11)20-16(21)19-14/h1-6,9,18H,7-8,10H2,(H2,19,20,21)
InChIKeyFEYWEMACDLEEGO-UHFFFAOYSA-N
XLogP1.66
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]methanesulfonamide (CID 110791251) is 1-(4-fluorophenyl)-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]methanesulfonamide is O=c1[nH]c2ccc(CCNS(=O)(=O)Cc3ccc(F)cc3)cc2[nH]1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]methanesulfonamide?
The InChIKey is FEYWEMACDLEEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3S/c17-13-4-1-12(2-5-13)10-24(22,23)18-8-7-11-3-6-14-15(9-11)20-16(21)19-14/h1-6,9,18H,7-8,10H2,(H2,19,20,21).
What are the key properties of 1-(4-fluorophenyl)-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]methanesulfonamide has a molecular weight of 349.39 g/mol, XLogP of 1.66, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 110791251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).