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

C15H14FN3O3S — CID 110785320

IUPAC1-(4-fluorophenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]methanesulfonamide
SMILESO=c1[nH]c2ccc(CNS(=O)(=O)Cc3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C15H14FN3O3S/c16-12-4-1-10(2-5-12)9-23(21,22)17-8-11-3-6-13-14(7-11)19-15(20)18-13/h1-7,17H,8-9H2,(H2,18,19,20)
InChIKeyDNVPWIXNQGPHRE-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.61
Rot. Bonds5

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

1-(4-fluorophenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]methanesulfonamide (PubChem CID 110785320) has the molecular formula C15H14FN3O3S and a molecular weight of 335.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]methanesulfonamide
PubChem CID110785320
Molecular FormulaC15H14FN3O3S
Molecular Weight335.36 g/mol
Exact Mass335.07
IUPAC Name1-(4-fluorophenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]methanesulfonamide
SMILESO=c1[nH]c2ccc(CNS(=O)(=O)Cc3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C15H14FN3O3S/c16-12-4-1-10(2-5-12)9-23(21,22)17-8-11-3-6-13-14(7-11)19-15(20)18-13/h1-7,17H,8-9H2,(H2,18,19,20)
InChIKeyDNVPWIXNQGPHRE-UHFFFAOYSA-N
XLogP1.61
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.61
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-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]methanesulfonamide (CID 110785320) is 1-(4-fluorophenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]methanesulfonamide is O=c1[nH]c2ccc(CNS(=O)(=O)Cc3ccc(F)cc3)cc2[nH]1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]methanesulfonamide?
The InChIKey is DNVPWIXNQGPHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3S/c16-12-4-1-10(2-5-12)9-23(21,22)17-8-11-3-6-13-14(7-11)19-15(20)18-13/h1-7,17H,8-9H2,(H2,18,19,20).
What are the key properties of 1-(4-fluorophenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]methanesulfonamide has a molecular weight of 335.36 g/mol, XLogP of 1.61, 5 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-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]methanesulfonamide is sourced from PubChem (CID 110785320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).