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

C15H14FN3O3S — CID 110791236

IUPAC4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzenesulfonamide
SMILESO=c1[nH]c2ccc(CCNS(=O)(=O)c3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C15H14FN3O3S/c16-11-2-4-12(5-3-11)23(21,22)17-8-7-10-1-6-13-14(9-10)19-15(20)18-13/h1-6,9,17H,7-8H2,(H2,18,19,20)
InChIKeyVCUYHGFOSMTTRS-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.52
Rot. Bonds5

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

4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 110791236) has the molecular formula C15H14FN3O3S and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzenesulfonamide
PubChem CID110791236
Molecular FormulaC15H14FN3O3S
Molecular Weight335.36 g/mol
Exact Mass335.07
IUPAC Name4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzenesulfonamide
SMILESO=c1[nH]c2ccc(CCNS(=O)(=O)c3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C15H14FN3O3S/c16-11-2-4-12(5-3-11)23(21,22)17-8-7-10-1-6-13-14(9-10)19-15(20)18-13/h1-6,9,17H,7-8H2,(H2,18,19,20)
InChIKeyVCUYHGFOSMTTRS-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-N-(2-phenylethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 3157364
2-oxo-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110665410
N-[2-(4-nitrophenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110632855
N-[2-(3,4-dichlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 3716160
4-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 1320970
4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
CID 110791167
N-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 897615
4-fluoro-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]benzenesulfonamide
CID 110788495
3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]propanoate
CID 2207002
4-acetyl-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7510309
N-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110779641
1-(2-methylphenyl)-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]methanesulfonamide
CID 110791248

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzenesulfonamide (CID 110791236) is 4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzenesulfonamide is O=c1[nH]c2ccc(CCNS(=O)(=O)c3ccc(F)cc3)cc2[nH]1.
What is the InChIKey of 4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is VCUYHGFOSMTTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3S/c16-11-2-4-12(5-3-11)23(21,22)17-8-7-10-1-6-13-14(9-10)19-15(20)18-13/h1-6,9,17H,7-8H2,(H2,18,19,20).
What are the key properties of 4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzenesulfonamide?
4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 335.36 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110791236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).